Molecule FYI-1002374

Molecule Summary:

ID: FYI-1002374
Names:
InChIKey: DOAKLVKFURWEDJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC4C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)NC(CC(=O)c3ccccc3N)C(=O)OC4C

Received at FYIcenter.com on: 2023-03-09

Molecule ID: FYI-1002374 Edit

Molecule Structure InChIKey: DOAKLVKFURWEDJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC4C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)NC(CC(=O)c3ccccc3N)C(=O)OC4C

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1002374
FYIcenter.com

115118  0  0  0  0  0  0  0  0999 V2000
   28.7312   17.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5182   18.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5182   19.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3052   20.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3052   21.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0922   22.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8791   21.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6662   22.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4531   21.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4531   20.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2401   19.4863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6662   19.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6662   18.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8791   17.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8791   15.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7460   15.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1788   13.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5795   13.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5168   12.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8868   13.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3197   14.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3824   15.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0123   15.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4531   17.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4531   15.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2401   18.0857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0271   17.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8141   18.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8141   19.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0271   20.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010   20.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0271   15.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2401   15.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8141   15.2843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8141   13.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0271   13.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0271   11.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8141   11.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2401   11.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010   13.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010   11.7826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3880   13.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   13.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3555   14.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3242   15.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1232   15.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7186   17.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017   16.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4137   16.6406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162   16.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7808   17.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6664   16.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4195   15.5341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265   14.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444   15.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322   13.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732   12.3441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766   11.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2584    9.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    8.2142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8655    6.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    6.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658    5.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    4.6248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179    3.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972    2.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    3.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2474    2.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6472    2.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7418    1.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0280    3.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3331    3.5594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    4.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3850    3.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5078    5.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2885    6.4652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8190    7.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1623    7.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0778    9.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0541   10.5385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7490   11.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0006   12.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5858    4.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8993    4.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9774    4.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2909    4.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4019    1.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    1.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7399    2.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    4.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    2.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356    2.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   14.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117   13.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1579   17.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0338   18.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733   17.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647   18.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406   20.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802   19.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1297   17.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1146   18.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7712   18.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4427   20.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275   21.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556   22.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989   22.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1141   21.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7861   20.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8012   19.5720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4027   15.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 23 15  1  0  0  0  0
 24 13  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 27  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 35  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 46  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  2  0  0  0  0
 52 50  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  2  0  0  0  0
 60 58  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  2  0  0  0  0
 64 62  1  0  0  0  0
 65 64  1  0  0  0  0
 66 65  1  0  0  0  0
 67 66  2  0  0  0  0
 68 66  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 70  2  0  0  0  0
 72 70  1  0  0  0  0
 73 72  1  0  0  0  0
 74 73  1  0  0  0  0
 75 74  2  0  0  0  0
 76 74  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  2  0  0  0  0
 80 78  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  1  0  0  0  0
 82 43  1  0  0  0  0
 83 82  2  0  0  0  0
 84 76  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 72  1  0  0  0  0
 89 88  1  0  0  0  0
 90 89  2  0  0  0  0
 91 89  1  0  0  0  0
 92 68  1  0  0  0  0
 93 64  1  0  0  0  0
 94 93  1  0  0  0  0
 95 94  2  0  0  0  0
 96 94  1  0  0  0  0
 97 56  1  0  0  0  0
 98 97  1  0  0  0  0
 99 52  1  0  0  0  0
100 99  1  0  0  0  0
101 99  1  0  0  0  0
102101  1  0  0  0  0
103102  2  0  0  0  0
104102  1  0  0  0  0
105 48  1  0  0  0  0
106105  1  0  0  0  0
107106  2  0  0  0  0
108106  1  0  0  0  0
109108  2  0  0  0  0
110109  1  0  0  0  0
111110  2  0  0  0  0
112111  1  0  0  0  0
113112  2  0  0  0  0
113108  1  0  0  0  0
114113  1  0  0  0  0
115 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002374-3D
FYIcenter.com

216219  0  0  1  0  0  0  0  0999 V2000
    1.1087   -6.5021  -10.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6242   -6.5494  -10.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679   -5.3283  -11.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6888   -5.3668  -11.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1973   -4.1352  -12.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7138   -4.1379  -12.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1679   -2.8892  -13.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6788   -2.8553  -13.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680   -1.6117  -14.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5135   -1.6455  -14.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0798   -2.6551  -14.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2657   -0.6751  -13.7580 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7162   -0.6535  -13.8324 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1904   -0.4344  -15.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7093    0.8087  -15.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4357    1.9806  -15.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5702    3.0175  -16.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3168    2.5294  -16.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1435    3.2121  -16.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457    2.4734  -16.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0226    1.0558  -16.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2362    0.4021  -16.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3897    1.1291  -16.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0777    0.4171  -12.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2921    0.7288  -11.9134 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3823    0.8089  -12.8357 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1692    1.5514  -11.8718 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9563    1.2924  -10.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2471   -0.1372  -10.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1602   -0.9316   -9.9089 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3691   -0.5914   -9.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4966    1.0478  -12.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6150    0.8763  -13.6488 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    0.9087  -11.5650 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8254    1.3157  -12.0353 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.4645    0.5019  -13.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1518    0.6549  -14.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7877   -0.2852  -15.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5119    1.8379  -15.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4115    2.7499  -12.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1631    3.2900  -13.2808 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1543    3.3028  -10.9487 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0150    4.7230  -10.9121 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.1399    4.9790   -9.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6431    5.8085   -8.4609 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9525    4.1464   -8.5475 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4001    4.2706   -7.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0193    3.5504   -6.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8586    3.9508   -6.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8974    2.6965   -5.2499 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6964    2.7465   -3.9271 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0668    1.5283   -2.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1956    0.8354   -1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0411    0.1106   -2.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717   -0.6490   -1.5256 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8611    3.1255   -4.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1433    4.3206   -5.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3634    2.1784   -5.6200 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3439    1.2696   -5.0504 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.0129    0.5504   -6.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7158    1.4822   -7.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7071    2.7044   -7.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3148    0.8632   -8.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0368    2.1319   -3.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5443    3.0684   -3.2568 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1511    1.8146   -3.3034 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2139    1.1634   -3.9490 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.4116    1.9470   -3.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7886   -0.3320   -3.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6180   -0.7019   -3.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6700   -1.3365   -3.8545 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0368   -1.0832   -3.5008 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.6887   -2.2767   -2.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9841   -2.8072   -1.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9319   -2.3873   -1.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6785   -3.8228   -1.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6764   -0.5167   -4.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0425   -0.0159   -5.6988 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0213   -0.3089   -4.7126 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8549   -1.4879   -4.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1078   -1.7114   -5.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8791   -2.6315   -5.2018 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3695   -1.0412   -6.6453 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.6245    0.0045   -7.3456 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.6082    0.6511   -8.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7921    1.0773   -7.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3029   -0.6646   -7.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8446   -1.6846   -7.3278 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5203   -0.0849   -8.7927 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9750    0.7893   -9.8437 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.3003    0.4488  -11.1708 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.1116    1.0791  -12.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2106   -1.0526  -11.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660   -1.9993  -10.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5628   -1.6509   -9.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9025   -3.2719  -10.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9275    2.2460   -9.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7751    2.4197   -7.9985 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4368    3.3457   -9.8863 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4404    4.2603  -10.4488 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.9020    5.6800  -10.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2258    6.5250   -9.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0128    6.7109   -9.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9878    6.9219   -8.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3895    6.5555   -7.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0744    6.7981   -6.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3265    7.3811   -6.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9101    7.7280   -7.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2310    7.5418   -8.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8793    7.8205   -9.8827 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8541    3.8599  -11.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4735    3.6652  -12.7921 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5112    3.8124  -11.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6485    5.0854  -11.7189 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.0044    5.3613  -13.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7255   -7.3817  -10.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747   -6.4845  -11.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -5.6085  -10.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9394   -7.4628  -11.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350   -6.5907   -9.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484   -4.4144  -11.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7531   -5.2855  -12.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181   -6.2724  -12.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133   -5.4011  -10.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627   -3.2295  -11.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7716   -4.1013  -13.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0598   -5.0331  -12.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1535   -4.1637  -11.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8198   -1.9930  -12.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7226   -2.8684  -14.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0274   -3.7653  -13.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438   -2.8562  -12.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275   -0.7148  -13.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5975   -1.5829  -15.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8317   -0.0619  -13.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0988   -1.6098  -13.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8607   -1.3056  -15.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2961   -0.4971  -15.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4565    2.1871  -15.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348    3.9782  -16.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050    4.3005  -16.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0317    2.9773  -17.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.5098  -17.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2528   -0.6882  -16.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8805    0.6196  -13.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0717    2.6247  -12.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9437    1.5690  -10.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6235    1.9179   -9.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2238   -0.5807  -10.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3195   -1.9192   -9.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3718    1.2568  -10.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4571    1.2598  -11.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3415   -0.5557  -12.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5327    0.6958  -13.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6820    2.5417  -14.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8204    2.9993  -10.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3018    5.1013  -11.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4808    4.1213   -7.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7374    4.3921   -8.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5049    5.2745   -7.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9188    2.6590   -4.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3913    3.5917   -3.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8936    1.8925   -2.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4618    0.6795   -3.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8880    1.5099   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8275    0.0758   -1.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4269   -0.5749   -3.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4049    0.8513   -2.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8604   -1.3609   -1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5394   -1.1593   -2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8085    2.6826   -6.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8243    0.4514   -4.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2163    0.0605   -6.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6984   -0.2386   -5.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1825   -0.1142   -8.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3282    2.4664   -2.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1329    1.3526   -5.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5155    1.8592   -2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2493    3.0179   -3.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3562    1.7148   -3.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2396   -2.2351   -3.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0352   -0.2981   -2.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6598   -1.9559   -2.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7889   -3.0935   -3.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5072   -4.0353   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2091    0.3514   -5.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2275   -2.3564   -4.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2045   -1.5635   -3.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2120   -1.3628   -7.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3836    0.7872   -6.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2218    1.5535   -8.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8984   -0.0557   -9.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5368    1.7946   -7.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5762   -0.4764   -8.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0149    0.5419  -10.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3066    0.8718  -11.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8271    0.3818  -12.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7131    1.9149  -11.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4527    1.3963  -13.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2270   -1.4398  -11.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7108   -1.1301  -12.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6205   -3.4183  -11.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8468    3.8908   -9.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6115    4.2291   -9.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5447    6.0792  -11.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9878    5.7573  -10.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4139    6.0732   -7.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6150    6.5154   -5.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8762    7.5768   -5.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8976    8.1717   -7.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7515    8.3314   -9.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2942    8.2003  -10.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1229    5.9068  -11.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8786    4.5086  -13.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1075    5.4758  -13.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6434    6.2781  -13.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1116  1  0  0  0  0
  1117  1  0  0  0  0
  1118  1  0  0  0  0
  2  3  1  0  0  0  0
  2119  1  0  0  0  0
  2120  1  0  0  0  0
  3  4  1  0  0  0  0
  3121  1  0  0  0  0
  3122  1  0  0  0  0
  4  5  1  0  0  0  0
  4123  1  0  0  0  0
  4124  1  0  0  0  0
  5  6  1  0  0  0  0
  5125  1  0  0  0  0
  5126  1  0  0  0  0
  6  7  1  0  0  0  0
  6127  1  0  0  0  0
  6128  1  0  0  0  0
  7  8  1  0  0  0  0
  7129  1  0  0  0  0
  7130  1  0  0  0  0
  8  9  1  0  0  0  0
  8131  1  0  0  0  0
  8132  1  0  0  0  0
  9 10  1  0  0  0  0
  9133  1  0  0  0  0
  9134  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12135  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13136  1  0  0  0  0
 14 15  1  0  0  0  0
 14137  1  0  0  0  0
 14138  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16139  1  0  0  0  0
 17 18  1  0  0  0  0
 17140  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19141  1  0  0  0  0
 20 21  1  0  0  0  0
 20142  1  0  0  0  0
 21 22  2  0  0  0  0
 21143  1  0  0  0  0
 22 23  1  0  0  0  0
 22144  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26145  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 27146  1  0  0  0  0
 28 29  1  0  0  0  0
 28147  1  0  0  0  0
 28148  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30149  1  0  0  0  0
 30150  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34151  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 35152  1  0  0  0  0
 36 37  1  0  0  0  0
 36153  1  0  0  0  0
 36154  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39155  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42156  1  0  0  0  0
 43 44  1  0  0  0  0
 43114  1  0  0  0  0
 43157  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46158  1  0  0  0  0
 47 48  1  0  0  0  0
 47159  1  0  0  0  0
 47160  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50161  1  0  0  0  0
 51 52  1  0  0  0  0
 51 56  1  0  0  0  0
 51162  1  0  0  0  0
 52 53  1  0  0  0  0
 52163  1  0  0  0  0
 52164  1  0  0  0  0
 53 54  1  0  0  0  0
 53165  1  0  0  0  0
 53166  1  0  0  0  0
 54 55  1  0  0  0  0
 54167  1  0  0  0  0
 54168  1  0  0  0  0
 55169  1  0  0  0  0
 55170  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58171  1  0  0  0  0
 59 60  1  0  0  0  0
 59 64  1  0  0  0  0
 59172  1  0  0  0  0
 60 61  1  0  0  0  0
 60173  1  0  0  0  0
 60174  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 63175  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66176  1  0  0  0  0
 67 68  1  0  0  0  0
 67 69  1  0  0  0  0
 67177  1  0  0  0  0
 68178  1  0  0  0  0
 68179  1  0  0  0  0
 68180  1  0  0  0  0
 69 70  2  0  0  0  0
 69 71  1  0  0  0  0
 71 72  1  0  0  0  0
 71181  1  0  0  0  0
 72 73  1  0  0  0  0
 72 77  1  0  0  0  0
 72182  1  0  0  0  0
 73 74  1  0  0  0  0
 73183  1  0  0  0  0
 73184  1  0  0  0  0
 74 75  2  0  0  0  0
 74 76  1  0  0  0  0
 76185  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79186  1  0  0  0  0
 80 81  1  0  0  0  0
 80187  1  0  0  0  0
 80188  1  0  0  0  0
 81 82  2  0  0  0  0
 81 83  1  0  0  0  0
 83 84  1  0  0  0  0
 83189  1  0  0  0  0
 84 85  1  0  0  0  0
 84 87  1  0  0  0  0
 84190  1  0  0  0  0
 85 86  1  0  0  0  0
 85191  1  0  0  0  0
 85192  1  0  0  0  0
 86193  1  0  0  0  0
 87 88  2  0  0  0  0
 87 89  1  0  0  0  0
 89 90  1  0  0  0  0
 89194  1  0  0  0  0
 90 91  1  0  0  0  0
 90 97  1  0  0  0  0
 90195  1  0  0  0  0
 91 92  1  0  0  0  0
 91 93  1  0  0  0  0
 91196  1  0  0  0  0
 92197  1  0  0  0  0
 92198  1  0  0  0  0
 92199  1  0  0  0  0
 93 94  1  0  0  0  0
 93200  1  0  0  0  0
 93201  1  0  0  0  0
 94 95  2  0  0  0  0
 94 96  1  0  0  0  0
 96202  1  0  0  0  0
 97 98  2  0  0  0  0
 97 99  1  0  0  0  0
 99100  1  0  0  0  0
 99203  1  0  0  0  0
100101  1  0  0  0  0
100111  1  0  0  0  0
100204  1  0  0  0  0
101102  1  0  0  0  0
101205  1  0  0  0  0
101206  1  0  0  0  0
102103  2  0  0  0  0
102104  1  0  0  0  0
104105  1  0  0  0  0
104109  2  0  0  0  0
105106  2  0  0  0  0
105207  1  0  0  0  0
106107  1  0  0  0  0
106208  1  0  0  0  0
107108  2  0  0  0  0
107209  1  0  0  0  0
108109  1  0  0  0  0
108210  1  0  0  0  0
109110  1  0  0  0  0
110211  1  0  0  0  0
110212  1  0  0  0  0
111112  2  0  0  0  0
111113  1  0  0  0  0
113114  1  0  0  0  0
114115  1  0  0  0  0
114213  1  0  0  0  0
115214  1  0  0  0  0
115215  1  0  0  0  0
115216  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 1994👍, 0💬