Molecule Editor

Molecule ID: FYI-1006442 Edit

Molecule Structure InChIKey: CDRLELWXLJGJKM-OOSIXQNLSA-N

Molecule Structure SMILES String: O=C(O)[C@@H]1Cc%11c(CN1C(=O)[C@@H](CO[C@H]9CC[C@@H](c2ccccc2)C(COC(=O)[C@@H]3Cc7c(CN3C(=O)[C@@H](CO[C@H]5CC[C@@H](c4ccccc4)[C@@H](CO)N5)NC(=O)n6ccnc6)[nH]c8ccccc78)N9)NC(=O)n%10ccnc%10)[nH]c%12ccccc%11%12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006442
FYIcenter.com

 85 96  0  0  1  0  0  0  0  0999 V2000
   12.1244   18.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   17.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   16.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   14.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   16.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   17.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   18.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   19.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   18.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   17.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   14.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   13.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   12.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618   10.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    8.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.7273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4706    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2935    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7241    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5089    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0783    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5089    3.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.1273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.2273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2570   11.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244   12.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244   12.3816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9918   11.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   13.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   16.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.2273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   18.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   19.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   20.7273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   21.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   22.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669   23.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995   24.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   24.9816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321   23.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   20.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   18.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   17.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   16.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   16.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   17.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   18.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   17.2273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4468   14.1906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   19.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   16.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   15.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4084   13.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2314   11.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6620   10.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4468   11.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0161   12.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  7  1  6  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 27  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 26  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 20  1  0  0  0  0
 36 19  2  0  0  0  0
 18 37  1  6  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 43 39  1  0  0  0  0
 44 38  2  0  0  0  0
 45 15  1  0  0  0  0
 45  5  1  0  0  0  0
 46 47  1  0  0  0  0
 47  2  1  6  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 50 51  1  1  0  0  0
 52 51  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 55  1  0  0  0  0
 57 56  2  0  0  0  0
 57 53  1  0  0  0  0
 58 52  2  0  0  0  0
 59 50  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  1  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 64 65  1  1  0  0  0
 66 65  2  0  0  0  0
 67 66  1  0  0  0  0
 68 67  2  0  0  0  0
 69 68  1  0  0  0  0
 70 69  2  0  0  0  0
 70 65  1  0  0  0  0
 71 64  1  0  0  0  0
 71 72  1  1  0  0  0
 73 72  1  0  0  0  0
 74 71  1  0  0  0  0
 74 61  1  0  0  0  0
 46 79  1  0  0  0  0
 76 49  2  0  0  0  0
 77 48  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  2  0  0  0  0
 80 79  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  2  0  0  0  0
 83 82  1  0  0  0  0
 84 83  2  0  0  0  0
 85 80  2  0  0  0  0
 85 84  1  0  0  0  0
 75 85  1  0  0  0  0
 75 78  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006442-3D
FYIcenter.com

151162  0  0  1  0  0  0  0  0999 V2000
    0.8868   -5.0628   12.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938   -5.1697   11.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -6.1526   12.3475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248   -4.1990   10.8359 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4196   -4.5072   10.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441   -5.7438    9.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820   -5.9971    8.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0826   -5.0782    8.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106   -3.9006    9.7142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -2.6682    9.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938   -1.9612   10.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507   -2.1541    8.9184 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7053   -0.5808    8.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459    0.2674    9.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1911    0.5633   10.5357 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5230    0.8427    9.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    2.3156    9.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264    3.3761   10.4039 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5517    4.8684   10.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5767    5.3404    8.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4124    6.7009    8.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    7.6313    9.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3419    7.2024   10.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4785    5.8347   11.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9499    3.0176   10.6825 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0240    3.2067    9.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2942    2.3126    8.2249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843    2.7406    6.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    3.9143    6.5715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    1.5108    5.9385 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2415    0.9642    6.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2386    1.9428    5.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9089    2.6800    4.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6921    2.5024    3.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    1.6993    4.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    0.8857    3.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468    0.0427    4.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    1.1535    2.1319 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8949    0.0174    1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747    0.2547   -0.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765    0.5411   -1.0378 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6910   -0.6347   -1.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -1.2330   -2.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185   -0.2349   -3.9927 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9816   -0.7413   -5.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -2.0226   -5.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3578   -2.3656   -7.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5973   -1.4421   -8.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -0.1576   -7.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1812    0.1821   -6.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    0.7344   -3.5117 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3250    0.1733   -3.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    1.0731   -3.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3742    1.3125   -2.1939 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452    2.3748    2.1218 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313    3.3722    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215    3.3950    0.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414    4.4407    1.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    5.0192    2.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0889    6.1397    1.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9835    6.2346    0.5847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355    5.2231    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8698    3.6381    4.4106 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8240    3.5362    5.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9305    4.3556    5.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828    4.0796    6.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    2.9701    7.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3392    2.1059    7.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4925    2.4253    6.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448    1.7066   11.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421   -2.6545    9.3549 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9692   -2.6791    8.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762   -2.4716    7.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193   -2.8355    9.0471 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288   -3.3192   10.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8962   -3.2340   10.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379   -2.6877    9.2751 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4182   -2.4752    8.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -7.2002    8.0936 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7084   -7.6626    8.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4099   -8.7734    7.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7423   -8.9837    8.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3339   -8.1214    9.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6271   -7.0237    9.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3045   -6.7694    9.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243   -6.3160   11.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071   -3.3081   11.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782   -3.7040    9.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2008   -4.5405   11.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -4.6898    7.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495   -5.6588    9.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4382   -2.5330    7.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.2684    8.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4089   -0.3027    8.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981   -0.3007   11.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130    0.1665    8.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3340    0.5311   10.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353    2.5580    8.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9893    2.4028    9.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400    3.2418   11.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6580    4.6569    7.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3544    7.0254    7.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244    8.6833    9.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    7.9281   11.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4915    5.5338   12.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5879    3.7312   11.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    4.2519    9.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9942    3.0145    9.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769    0.7505    6.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3817   -0.0052    5.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934    0.8132    7.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0166    1.9510    2.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    3.4536    3.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243    1.3574    1.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1086   -0.1726    1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -0.9225    1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    1.2188   -0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101   -1.4454   -0.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.2490   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -2.1030   -2.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027   -1.6261   -3.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1257    0.3819   -4.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3458   -2.7916   -5.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321   -3.3654   -7.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -1.7170   -9.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954    0.5863   -8.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121    1.1902   -6.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557    1.6031   -4.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597   -0.7950   -3.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349    0.0500   -4.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    1.8579   -2.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231    2.2379   -1.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1111    2.3447    2.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549    4.6620    3.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049    6.8996    2.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0678    4.9683   -0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8596    4.3763    3.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1691    5.2139    5.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058    4.7302    7.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9688    2.8044    8.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417    1.2421    7.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656    1.5536   11.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409   -2.5550   10.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7709   -3.7024   10.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5190   -3.5401   11.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4646   -2.0255    7.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7526   -7.6956    7.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -9.4658    7.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3172   -9.8192    7.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3640   -8.3011    9.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208   -6.3585   10.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 86  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4  2  1  0  0  0  0
  4 87  1  1  0  0  0
  5  6  1  0  0  0  0
  5 88  1  0  0  0  0
  5 89  1  0  0  0  0
  6  7  2  0  0  0  0
  6 85  1  0  0  0  0
  7  8  1  0  0  0  0
  7 79  1  0  0  0  0
  8  9  1  0  0  0  0
  8 90  1  0  0  0  0
  8 91  1  0  0  0  0
  9 10  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
 12 71  1  0  0  0  0
 12 92  1  6  0  0  0
 13 14  1  0  0  0  0
 13 93  1  0  0  0  0
 13 94  1  0  0  0  0
 15 16  1  0  0  0  0
 15 70  1  0  0  0  0
 15 14  1  0  0  0  0
 15 95  1  1  0  0  0
 16 17  1  0  0  0  0
 16 96  1  0  0  0  0
 16 97  1  0  0  0  0
 17 18  1  0  0  0  0
 17 98  1  0  0  0  0
 17 99  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 18100  1  1  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20101  1  0  0  0  0
 21 22  1  0  0  0  0
 21102  1  0  0  0  0
 22 23  2  0  0  0  0
 22103  1  0  0  0  0
 23 24  1  0  0  0  0
 23104  1  0  0  0  0
 24105  1  0  0  0  0
 25 26  1  0  0  0  0
 25 70  1  0  0  0  0
 25106  1  0  0  0  0
 26 27  1  0  0  0  0
 26107  1  0  0  0  0
 26108  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 28  1  0  0  0  0
 30109  1  1  0  0  0
 31 32  1  0  0  0  0
 31110  1  0  0  0  0
 31111  1  0  0  0  0
 32 33  2  0  0  0  0
 32 69  1  0  0  0  0
 33 34  1  0  0  0  0
 33 63  1  0  0  0  0
 34 35  1  0  0  0  0
 34112  1  0  0  0  0
 34113  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 55  1  0  0  0  0
 38114  1  6  0  0  0
 39 40  1  0  0  0  0
 39115  1  0  0  0  0
 39116  1  0  0  0  0
 41 42  1  0  0  0  0
 41 54  1  0  0  0  0
 41 40  1  0  0  0  0
 41117  1  1  0  0  0
 42 43  1  0  0  0  0
 42118  1  0  0  0  0
 42119  1  0  0  0  0
 43 44  1  0  0  0  0
 43120  1  0  0  0  0
 43121  1  0  0  0  0
 44 45  1  0  0  0  0
 44 51  1  0  0  0  0
 44122  1  6  0  0  0
 45 46  1  0  0  0  0
 45 50  2  0  0  0  0
 46 47  2  0  0  0  0
 46123  1  0  0  0  0
 47 48  1  0  0  0  0
 47124  1  0  0  0  0
 48 49  2  0  0  0  0
 48125  1  0  0  0  0
 49 50  1  0  0  0  0
 49126  1  0  0  0  0
 50127  1  0  0  0  0
 51 52  1  0  0  0  0
 51 54  1  0  0  0  0
 51128  1  6  0  0  0
 52 53  1  0  0  0  0
 52129  1  0  0  0  0
 52130  1  0  0  0  0
 53131  1  0  0  0  0
 54132  1  0  0  0  0
 55 56  1  0  0  0  0
 55133  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
 58 62  1  0  0  0  0
 59 60  2  0  0  0  0
 59134  1  0  0  0  0
 60 61  1  0  0  0  0
 60135  1  0  0  0  0
 61 62  2  0  0  0  0
 62136  1  0  0  0  0
 63 64  1  0  0  0  0
 63137  1  0  0  0  0
 64 65  1  0  0  0  0
 64 69  2  0  0  0  0
 65 66  2  0  0  0  0
 65138  1  0  0  0  0
 66 67  1  0  0  0  0
 66139  1  0  0  0  0
 67 68  2  0  0  0  0
 67140  1  0  0  0  0
 68 69  1  0  0  0  0
 68141  1  0  0  0  0
 70142  1  0  0  0  0
 71 72  1  0  0  0  0
 71143  1  0  0  0  0
 72 73  2  0  0  0  0
 72 74  1  0  0  0  0
 74 75  1  0  0  0  0
 74 78  1  0  0  0  0
 75 76  2  0  0  0  0
 75144  1  0  0  0  0
 76 77  1  0  0  0  0
 76145  1  0  0  0  0
 77 78  2  0  0  0  0
 78146  1  0  0  0  0
 79 80  1  0  0  0  0
 79147  1  0  0  0  0
 80 81  1  0  0  0  0
 80 85  2  0  0  0  0
 81 82  2  0  0  0  0
 81148  1  0  0  0  0
 82 83  1  0  0  0  0
 82149  1  0  0  0  0
 83 84  2  0  0  0  0
 83150  1  0  0  0  0
 84 85  1  0  0  0  0
 84151  1  0  0  0  0
M  END
$$$$