Molecule FYI-1002375

A

Molecule Summary:

ID: FYI-1002375
Names:
InChIKey: OYVAGSVQBOHSSS-UHFFFAOYSA-O
SMILES: Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc3nc(c2nc(C(=O)NCCC[S+](C)C)cs2)cs3)C(C)O)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(N)=O)C5O)c6cnc[nH]6

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

Molecule ID: FYI-1002375 Edit

Molecule Structure InChIKey: OYVAGSVQBOHSSS-UHFFFAOYSA-O

Molecule Structure SMILES String: Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc3nc(c2nc(C(=O)NCCC[S+](C)C)cs2)cs3)C(C)O)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(N)=O)C5O)c6cnc[nH]6

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1002375
FYIcenter.com

 96101  0  0  0  0  0  0  0  0999 V2000
   29.5772    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5772    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3648    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3648    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5772    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0022    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5772    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0022    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2146    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0022    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3648    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1524    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7275    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7275    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5151    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1524    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1524    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7275    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7275    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5151    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3688    9.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9993   10.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2993    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2362    7.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1524   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1524   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7275   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7275   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5151   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3027   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3648   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3648    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5772   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0022   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0022   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5772   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5772   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2146   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2146    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2146    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0022    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.4270    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7898    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5151    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5151    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3027    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.0903    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0903    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8778    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6654    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6654    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4530    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4530    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2406    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0280    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0280    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6032    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3908    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6870    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7501    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501    3.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8196    4.2077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    5.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6578    6.4877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2885    6.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420    4.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4211    4.2350    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2480    7.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166    6.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    8.5029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    9.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   10.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493   11.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405   13.1153    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    2.3719   13.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8778    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  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
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  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
 37 32  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 35  1  0  0  0  0
 41 34  1  0  0  0  0
 42 33  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  1  0  0  0  0
 48 47  1  0  0  0  0
 48 43  1  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 51 46  1  0  0  0  0
 52 45  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 53  1  0  0  0  0
 56 44  1  0  0  0  0
 57 24  1  0  0  0  0
 58 57  2  0  0  0  0
 59 57  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 60  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 65 63  1  0  0  0  0
 66 65  2  0  0  0  0
 67 65  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 69  1  0  0  0  0
 72 68  1  0  0  0  0
 73 72  2  0  0  0  0
 74 72  1  0  0  0  0
 75 74  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  2  0  0  0  0
 79 78  1  0  0  0  0
 80 79  2  0  0  0  0
 81 80  1  0  0  0  0
 81 77  1  0  0  0  0
 82 79  1  0  0  0  0
 83 82  2  0  0  0  0
 84 83  1  0  0  0  0
 85 84  2  0  0  0  0
 86 85  1  0  0  0  0
 86 82  1  0  0  0  0
 87 84  1  0  0  0  0
 88 87  2  0  0  0  0
 89 87  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  1  0  0  0  0
 92 91  1  0  0  0  0
 93 92  1  0  0  0  0
 94 93  1  0  0  0  0
 95 93  1  0  0  0  0
 96 62  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002375-3D
FYIcenter.com

180185  0  0  1  0  0  0  0  0999 V2000
    2.0166   -0.6764   -3.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933    0.1978   -3.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4825   -0.1655   -3.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705   -1.3997   -4.2579 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5580    0.5826   -3.4913 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3788    1.7056   -2.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6282    2.1054   -2.0007 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2234    3.4523   -2.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8129    3.4625   -3.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373    4.6273   -4.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449    2.5414   -4.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2406    2.1213   -0.5501 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7220    0.7829   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7440   -0.3773   -0.0547 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8836    0.0647    0.7959 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673   -1.6969    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9088   -2.6711    0.9631 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652   -1.9243    0.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612    2.1609   -2.2947 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    1.3981   -2.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6823    1.8376   -2.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6902    1.5900   -2.8814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953    2.5436   -1.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638    3.4199   -0.8412 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4621    4.5373   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    5.5803   -1.8063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407    4.1429   -3.2210 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2096    4.8596   -4.4867 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0307    3.8108   -5.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    6.1210   -4.6024 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3806    6.9788   -3.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6705    6.9729   -5.8921 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9870    6.2108   -7.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6576    8.1554   -5.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    8.3310   -6.5729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3509    9.0633   -4.8245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   10.2578   -4.6077 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1097   10.5212   -3.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    9.5732   -2.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101   11.8467   -2.6808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779   12.3026   -1.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   13.7222   -1.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6561   14.7871   -1.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7159   14.5810   -2.5792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1220   15.7673   -3.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2591   15.8208   -4.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7043   16.9476   -4.6789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8119   16.6833   -5.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5141   17.7359   -6.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6981   17.6573   -6.5604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7409   18.8564   -6.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2137   19.9363   -7.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2423   20.8050   -6.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7733   21.9070   -7.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9548   22.9539   -6.5846 S   0  3  0  0  0  0  0  0  0  0  0  0
  -10.3106   24.0942   -7.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4115   21.9009   -6.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2120   15.3609   -5.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1146   14.4022   -4.6314 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4248   16.8869   -2.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1643   16.4341   -1.7037 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064   11.4377   -5.4484 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4750   11.1583   -6.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773   12.5726   -5.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3644    3.0071   -0.8780 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1749    1.8257   -0.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617    0.7635    0.3448 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5985    0.3955    0.3608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1694   -0.9013   -0.0629 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2732   -1.0074    0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265   -0.6383    1.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152   -2.0884    0.4118 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8710   -2.2878    1.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719   -1.8993    0.0004 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2752   -2.9082    0.6652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256   -0.4886    0.3724 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3522   -0.3773   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2490    0.6123    0.3173 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0250    0.9429    1.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4496   -0.0550    2.6355 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.9332    0.4457    3.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0381   -0.5642    4.9734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9790   -0.3682    2.5250 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.7542    0.8085    2.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1749   -0.8971    1.0672 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.4146   -1.5014    0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2063   -2.3637    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6594   -3.3596    0.3666 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5102   -2.3254    2.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7671    0.2500    0.1060 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.1140   -0.0719   -1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094    4.2714   -0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488    4.9209    0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113    6.1229    0.8307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959    6.2845   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7717    5.1823   -1.1769 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710   -1.6718   -3.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3690   -0.2043   -4.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -0.8182   -2.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -1.5771   -5.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7688   -1.3640   -4.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181    1.3526   -2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0498    3.7110   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4747    4.2479   -2.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5949    5.3663   -3.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8336    4.7055   -5.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4112    2.7306   -0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    0.4640   -0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3318    0.9468    0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1244   -0.5995   -1.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809    0.6055    1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3126    0.8431    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8122   -2.3379    1.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4832   -3.4747    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3568    2.8669   -0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    3.9324    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1013    3.1189   -3.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2539    5.1932   -4.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280    3.6490   -5.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4382    2.8413   -5.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    4.0696   -6.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560    5.8062   -4.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    7.4041   -3.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    7.4224   -5.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8677    5.5697   -7.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409    5.6066   -7.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1892    6.8879   -8.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9678    8.6609   -3.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2008   10.0686   -4.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   12.4810   -3.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8836   11.6101   -0.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4638   12.2175   -1.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243   13.7737   -1.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239   13.9401   -0.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7576   18.7966   -6.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6433   19.5060   -8.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3404   20.5327   -7.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7846   21.2417   -5.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0730   20.1856   -6.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2515   21.4932   -8.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9501   22.5532   -7.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4438   24.7428   -8.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1692   24.7106   -7.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5311   23.5589   -8.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3106   21.0001   -6.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5256   21.6204   -7.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2979   22.4503   -6.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0579   14.9200   -6.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5871   17.9193   -3.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   11.7278   -5.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4544   10.9415   -7.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942   10.3308   -7.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   12.0453   -7.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1540   12.5621   -6.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    3.0183   -1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272    1.1997    1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590   -0.9173   -1.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065   -0.2889   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7035   -2.0055    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808   -1.0940    2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6396   -3.0129   -0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7246   -2.1818    2.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -2.0918   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085   -3.5520    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1955   -0.6306    1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0448    1.5050   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9303   -0.9987    2.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4288    1.3674    4.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669    0.6980    3.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4433   -0.1600    5.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2733   -1.1194    3.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1853    1.5976    2.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4517   -1.7122    0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2340   -3.4771   -0.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2145   -4.1012    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3580    1.1431    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4161    0.2649   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181    4.6202    1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5792    7.1612   -0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093    5.1425   -2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 97  1  0  0  0  0
  1 98  1  0  0  0  0
  1 99  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4100  1  0  0  0  0
  4101  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7102  1  0  0  0  0
  8  9  1  0  0  0  0
  8103  1  0  0  0  0
  8104  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10105  1  0  0  0  0
 10106  1  0  0  0  0
 12 13  1  0  0  0  0
 12107  1  0  0  0  0
 13 14  1  0  0  0  0
 13108  1  0  0  0  0
 13109  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14110  1  0  0  0  0
 15111  1  0  0  0  0
 15112  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17113  1  0  0  0  0
 17114  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23115  1  0  0  0  0
 24 25  1  0  0  0  0
 24 65  1  0  0  0  0
 24116  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27117  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28118  1  0  0  0  0
 29119  1  0  0  0  0
 29120  1  0  0  0  0
 29121  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30122  1  0  0  0  0
 31123  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32124  1  0  0  0  0
 33125  1  0  0  0  0
 33126  1  0  0  0  0
 33127  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36128  1  0  0  0  0
 37 38  1  0  0  0  0
 37 62  1  0  0  0  0
 37129  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40130  1  0  0  0  0
 41 42  1  0  0  0  0
 41131  1  0  0  0  0
 41132  1  0  0  0  0
 42 43  1  0  0  0  0
 42133  1  0  0  0  0
 42134  1  0  0  0  0
 43 44  2  0  0  0  0
 43 61  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 60  2  0  0  0  0
 46 47  2  0  0  0  0
 46 59  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 58  2  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51135  1  0  0  0  0
 52 53  1  0  0  0  0
 52136  1  0  0  0  0
 52137  1  0  0  0  0
 53 54  1  0  0  0  0
 53138  1  0  0  0  0
 53139  1  0  0  0  0
 54 55  1  0  0  0  0
 54140  1  0  0  0  0
 54141  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56142  1  0  0  0  0
 56143  1  0  0  0  0
 56144  1  0  0  0  0
 57145  1  0  0  0  0
 57146  1  0  0  0  0
 57147  1  0  0  0  0
 58 59  1  0  0  0  0
 58148  1  0  0  0  0
 60 61  1  0  0  0  0
 60149  1  0  0  0  0
 62 63  1  0  0  0  0
 62 64  1  0  0  0  0
 62150  1  0  0  0  0
 63151  1  0  0  0  0
 63152  1  0  0  0  0
 63153  1  0  0  0  0
 64154  1  0  0  0  0
 65 66  1  0  0  0  0
 65 92  1  0  0  0  0
 65155  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 67 76  1  0  0  0  0
 67156  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 72  1  0  0  0  0
 69157  1  0  0  0  0
 70 71  1  0  0  0  0
 70158  1  0  0  0  0
 70159  1  0  0  0  0
 71160  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  1  0  0  0  0
 72161  1  0  0  0  0
 73162  1  0  0  0  0
 74 75  1  0  0  0  0
 74 76  1  0  0  0  0
 74163  1  0  0  0  0
 75164  1  0  0  0  0
 76 77  1  0  0  0  0
 76165  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 78 90  1  0  0  0  0
 78166  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 83  1  0  0  0  0
 80167  1  0  0  0  0
 81 82  1  0  0  0  0
 81168  1  0  0  0  0
 81169  1  0  0  0  0
 82170  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  1  0  0  0  0
 83171  1  0  0  0  0
 84172  1  0  0  0  0
 85 86  1  0  0  0  0
 85 90  1  0  0  0  0
 85173  1  0  0  0  0
 86 87  1  0  0  0  0
 87 88  1  0  0  0  0
 87 89  2  0  0  0  0
 88174  1  0  0  0  0
 88175  1  0  0  0  0
 90 91  1  0  0  0  0
 90176  1  0  0  0  0
 91177  1  0  0  0  0
 92 93  2  0  0  0  0
 92 96  1  0  0  0  0
 93 94  1  0  0  0  0
 93178  1  0  0  0  0
 94 95  2  0  0  0  0
 95 96  1  0  0  0  0
 95179  1  0  0  0  0
 96180  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 685👍, 0💬