Molecule FYI-1001562

A

Molecule Summary:

ID: FYI-1001562
SMILES: N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(=CN2)C1=C2C=CC=C1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

Received at FYIcenter.com on: 2022-09-09

Molecule ID: FYI-1001562 Edit

Molecule Structure SMILES String: N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(=CN2)C1=C2C=CC=C1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CS)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1001562
FYIcenter.com

123126  0  0  1  0  0  0  0  0999 V2000
   40.4527    1.8735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.1213    2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   23.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0808    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3719    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8302    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8706    4.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4987    4.1082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.2076    5.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   21.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8761    5.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8357    4.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1268    3.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5042    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2480    6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9569    7.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5795    5.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.6199    6.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   21.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9514    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2425    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3057    4.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0057    2.8637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.5214    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3751    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5077    2.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7867    2.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.9330    4.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8004    5.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3288    8.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9974    8.7206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3693    9.2248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.2228   10.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.5019   11.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4386   10.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7386    8.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104   11.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104   12.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980   10.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856   11.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   25.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   10.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   11.3171    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856   12.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980   13.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   13.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   14.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   23.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856   15.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   17.6171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980   17.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   15.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9483   14.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   16.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9483   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   23.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9483   19.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   19.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   19.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   21.1171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7359   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7359   15.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233   17.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   21.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109   15.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233   14.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985   19.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   16.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   21.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   19.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   19.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   21.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   21.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   21.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238   21.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   19.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   19.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   15.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   17.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   19.7171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364   15.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   14.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238   19.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   16.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   19.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   19.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   19.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   15.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   17.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   19.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   15.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   14.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   19.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   16.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   19.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   15.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   19.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   19.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   15.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   19.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   17.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   16.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  1  0  0  0
 10 19  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  6  0  0  0
 19 74  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 25 23  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
 29 24  1  0  0  0  0
 30 18  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 49  1  0  0  0  0
 35 33  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
 33 38  1  6  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  1  0  0  0
 42 49  2  0  0  0  0
 43 41  1  0  0  0  0
 44 43  1  0  0  0  0
 45 41  1  0  0  0  0
 46 45  2  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  6  0  0  0
 49 58  1  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 53 51  1  0  0  0  0
 54 48  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  1  0  0  0  0
 57 56  1  6  0  0  0
 58 67  1  0  0  0  0
 59 57  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  2  0  0  0  0
 62 60  1  0  0  0  0
 63 57  1  0  0  0  0
 64 63  2  0  0  0  0
 65 63  1  0  0  0  0
 66 65  1  1  0  0  0
 67 74  1  0  0  0  0
 68 66  1  0  0  0  0
 69 68  1  0  0  0  0
 70 66  1  0  0  0  0
 71 70  2  0  0  0  0
 72 70  1  0  0  0  0
 73 72  1  6  0  0  0
 74 87  1  0  0  0  0
 75 73  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  2  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 79  1  0  0  0  0
 82 81  2  0  0  0  0
 82 76  1  0  0  0  0
 83 73  1  0  0  0  0
 84 83  2  0  0  0  0
 85 83  1  0  0  0  0
 86 85  1  1  0  0  0
 87101  1  0  0  0  0
 88 86  1  0  0  0  0
 89 88  1  0  0  0  0
 90 86  1  0  0  0  0
 91 90  2  0  0  0  0
 92 90  1  0  0  0  0
 93 92  1  6  0  0  0
 94101  2  0  0  0  0
 95 93  1  0  0  0  0
 96 95  1  0  0  0  0
 97 93  1  0  0  0  0
 98 97  2  0  0  0  0
 99 97  1  0  0  0  0
100 99  1  1  0  0  0
101122  1  0  0  0  0
102100  1  0  0  0  0
103112  1  0  0  0  0
102104  1  1  0  0  0
105102  1  0  0  0  0
106100  1  0  0  0  0
107106  2  0  0  0  0
108106  1  0  0  0  0
109108  1  6  0  0  0
110112  1  0  0  0  0
111109  1  0  0  0  0
112123  1  0  0  0  0
111113  1  1  0  0  0
114111  1  0  0  0  0
115109  1  0  0  0  0
116115  2  0  0  0  0
117115  1  0  0  0  0
118117  1  0  0  0  0
119118  1  0  0  0  0
120119  2  0  0  0  0
121119  1  0  0  0  0
122121  1  6  0  0  0
123122  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001562-3D
FYIcenter.com

155158  0  0  1  0  0  0  0  0999 V2000
    5.5818    2.7368    0.3999 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6189    3.4058   -0.5291 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7962    2.6937   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050    4.7374    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2699    4.6793    1.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2679    3.6297   -1.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    4.4929   -2.7610 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2769    2.7261   -2.3181 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395    2.7361   -3.5583 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4839    3.0303   -4.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3033    3.7358   -3.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2443    3.9993   -4.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    4.5358   -5.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4261    4.8720   -4.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7460    1.3170   -3.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4768    0.3210   -3.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202    1.2156   -4.9296 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3801   -0.0097   -5.2116 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4771   -0.5276   -4.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762   -0.8520   -6.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3835   -0.2125   -7.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2078   -0.4114   -8.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6932    0.2794   -9.7245 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    0.7219   -7.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422    1.0654   -9.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    2.0421  -10.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9080    2.7179   -9.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582    2.3568   -8.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555    1.3428   -7.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8442    0.2630   -5.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2033    1.3750   -6.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7743   -0.7846   -5.6693 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5150   -2.2095   -5.4185 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8851   -2.5746   -6.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9046   -2.8408   -5.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5820   -2.0244   -6.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9308   -0.6490   -6.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9466   -2.7337   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9723   -3.4815   -4.0918 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6987   -2.4552   -2.9497 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4803   -3.0208   -1.5792 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9817   -2.2209   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5897   -4.2958   -1.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1089   -5.0031    0.0800 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8573   -3.2662   -0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9014   -3.5232    0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9968   -3.2172   -1.6286 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3786   -3.5351   -1.1914 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5671   -2.9073   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5117   -5.0030   -0.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3698   -5.9581   -1.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2347   -6.0614   -2.8291 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2865   -6.7934   -1.9955 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3818   -3.0833   -2.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9545   -2.6096   -3.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7392   -3.1501   -2.0217 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7817   -2.7073   -2.9689 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.6746   -3.3608   -3.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6420   -1.2534   -3.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7651   -0.1827   -2.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2032   -0.3634   -1.2167 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4413    1.0857   -2.8060 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1505   -3.0877   -2.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1884   -3.9518   -1.4278 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3180   -2.5915   -2.8706 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7177   -2.7749   -2.3527 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.7072   -2.5228   -1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1730   -4.2133   -2.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3299   -5.1547   -1.9504 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6889   -1.8516   -3.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3324   -1.4237   -4.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9326   -1.6203   -2.5932 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0338   -0.9579   -3.3241 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.2769   -1.6126   -4.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6818    0.4335   -3.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2667    1.4332   -2.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2183    2.2856   -2.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8146    3.3232   -1.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4617    3.4861   -1.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0108    4.5400   -0.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5139    2.5969   -1.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9168    1.5641   -2.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2836   -0.9296   -2.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2865   -1.4456   -1.3013 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4174   -0.3560   -2.9462 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6583   -0.1838   -2.1631 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.3639   -0.0847   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6180   -1.3717   -2.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0619   -2.5986   -1.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3885    1.0889   -2.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2737    1.5417   -3.7526 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.2144    1.6906   -1.6900 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4741    1.4240   -0.3872 C   0  0  0  0  0  2  0  0  0  0  0  0
   31.6626    1.2050    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1806    2.5887    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224    3.2951    0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3097    5.1428   -0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8004    5.4773    0.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    3.8431    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855    2.2002   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174    3.3390   -2.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024    4.6927   -3.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7535    3.0810   -4.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4662    5.6267   -5.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5206    4.1386   -5.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0823    4.2470   -6.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1120    5.8863   -3.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1540    4.9117   -4.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9371    4.4340   -3.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    1.8651   -5.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5922   -1.0644   -5.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0466   -1.8215   -6.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067   -1.0027   -8.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    0.2608  -10.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    2.2959  -11.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3784    3.5279   -9.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7387    2.8760   -7.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9672    1.0699   -6.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8415   -3.9072   -5.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4976   -2.7499   -4.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4059   -2.4809   -7.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6646   -1.9765   -6.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5683   -0.3601   -7.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6086    0.1290   -6.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1789   -1.5603   -3.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0374   -5.0973   -2.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6140   -4.0619   -1.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3059   -5.4354    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9015   -2.9910   -2.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8018   -5.2715   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5101   -5.1806   -0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5205   -6.8208   -1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2615   -7.5006   -2.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1268   -3.7949   -1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6804   -1.1101   -3.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4072   -1.0448   -4.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9731    1.2349   -3.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4960    1.8809   -2.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3027   -2.1452   -3.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1897   -4.3677   -2.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1733   -4.4414   -3.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4842   -4.7701   -1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2026   -2.0739   -1.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8821    0.3683   -4.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5265    0.8531   -4.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2756    2.1842   -2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5605    4.0048   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7758    5.0963   -0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4649    2.7326   -1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1691    0.8805   -2.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4135    0.0270   -3.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5439   -1.2051   -1.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9042   -1.5052   -3.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0950   -2.4851   -1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6709    2.5232   -2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 95  1  0  0  0  0
  1 96  1  0  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 97  1  0  0  0  0
  4 98  1  0  0  0  0
  5 99  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8100  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11101  1  0  0  0  0
 11102  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12103  1  0  0  0  0
 13104  1  0  0  0  0
 13105  1  0  0  0  0
 13106  1  0  0  0  0
 14107  1  0  0  0  0
 14108  1  0  0  0  0
 14109  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17110  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20111  1  0  0  0  0
 20112  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22113  1  0  0  0  0
 23 25  1  0  0  0  0
 23114  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26115  1  0  0  0  0
 27 28  1  0  0  0  0
 27116  1  0  0  0  0
 28 29  2  0  0  0  0
 28117  1  0  0  0  0
 29118  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 33 38  1  0  0  0  0
 35 36  1  0  0  0  0
 35119  1  0  0  0  0
 35120  1  0  0  0  0
 36 37  1  0  0  0  0
 36121  1  0  0  0  0
 36122  1  0  0  0  0
 37123  1  0  0  0  0
 37124  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
 40125  1  0  0  0  0
 41 42  1  1  0  0  0
 41 43  1  0  0  0  0
 41 45  1  0  0  0  0
 43 44  1  0  0  0  0
 43126  1  0  0  0  0
 43127  1  0  0  0  0
 44128  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47129  1  0  0  0  0
 48 49  1  1  0  0  0
 48 50  1  0  0  0  0
 48 54  1  0  0  0  0
 50 51  1  0  0  0  0
 50130  1  0  0  0  0
 50131  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53132  1  0  0  0  0
 53133  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56134  1  0  0  0  0
 57 58  1  6  0  0  0
 57 59  1  0  0  0  0
 57 63  1  0  0  0  0
 59 60  1  0  0  0  0
 59135  1  0  0  0  0
 59136  1  0  0  0  0
 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 62137  1  0  0  0  0
 62138  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 65139  1  0  0  0  0
 66 67  1  1  0  0  0
 66 68  1  0  0  0  0
 66 70  1  0  0  0  0
 68 69  1  0  0  0  0
 68140  1  0  0  0  0
 68141  1  0  0  0  0
 69142  1  0  0  0  0
 70 71  2  0  0  0  0
 70 72  1  0  0  0  0
 72 73  1  0  0  0  0
 72143  1  0  0  0  0
 73 74  1  6  0  0  0
 73 75  1  0  0  0  0
 73 83  1  0  0  0  0
 75 76  1  0  0  0  0
 75144  1  0  0  0  0
 75145  1  0  0  0  0
 76 77  1  0  0  0  0
 76 82  2  0  0  0  0
 77 78  2  0  0  0  0
 77146  1  0  0  0  0
 78 79  1  0  0  0  0
 78147  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 80148  1  0  0  0  0
 81 82  1  0  0  0  0
 81149  1  0  0  0  0
 82150  1  0  0  0  0
 83 84  2  0  0  0  0
 83 85  1  0  0  0  0
 85 86  1  0  0  0  0
 85151  1  0  0  0  0
 86 87  1  1  0  0  0
 86 88  1  0  0  0  0
 86 90  1  0  0  0  0
 88 89  1  0  0  0  0
 88152  1  0  0  0  0
 88153  1  0  0  0  0
 89154  1  0  0  0  0
 90 91  2  0  0  0  0
 90 92  1  0  0  0  0
 92 93  1  0  0  0  0
 92155  1  0  0  0  0
 93 94  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 2171👍, 0💬