Molecule FYI-1004886

A

Molecule Summary:

ID: FYI-1004886
Names:
InChIKey: NLMBVBUNULOTNS-HOKPPMCLSA-N
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCn3c(=O)ccc3=O)C(C)C)cc4)C(C)C

Received at FYIcenter.com on: 2023-09-26

Molecule ID: FYI-1004886 Edit

Molecule Structure InChIKey: NLMBVBUNULOTNS-HOKPPMCLSA-N

Molecule Structure SMILES String: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCn3c(=O)ccc3=O)C(C)C)cc4)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004886
FYIcenter.com

 94 97  0  0  1  0  0  0  0  0999 V2000
   10.7028    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023    3.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8271    3.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147    0.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774   11.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774   12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898   13.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023   12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898   14.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774   15.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774   17.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650   14.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023   15.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023   17.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147   17.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8271   17.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8271   15.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0396   17.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147   19.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8271   19.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8271   21.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0396   21.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2520   21.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0396   23.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2520   24.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147   21.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147   23.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023   24.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023   21.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898   21.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774   21.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6985   21.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4074   23.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4478   24.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1568   25.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0759   23.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0355   22.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7849   24.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4534   25.4027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1623   26.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2027   27.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8308   27.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904   26.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398   28.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2083   29.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9172   30.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9575   31.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2890   30.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5801   29.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8253   25.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    0.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   20.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4617   19.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8311   19.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898   23.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0396   19.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023   19.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147   14.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650   13.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    4.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.2680    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  6  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15  7  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 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  1  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 26  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  6  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 32  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  6  0  0  0
 39 38  1  0  0  0  0
 39 40  1  6  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
 43 38  1  0  0  0  0
 43 44  1  1  0  0  0
 45 44  1  0  0  0  0
 46 43  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  1  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 50  1  0  0  0  0
 53 54  1  1  0  0  0
 55 53  1  0  0  0  0
 56 55  1  0  0  0  0
 57 56  1  1  0  0  0
 58 57  1  0  0  0  0
 59 57  1  0  0  0  0
 59 60  1  1  0  0  0
 61 59  1  0  0  0  0
 62 61  2  0  0  0  0
 63 62  1  0  0  0  0
 64 63  2  0  0  0  0
 65 64  1  0  0  0  0
 66 65  2  0  0  0  0
 66 61  1  0  0  0  0
 67 55  2  0  0  0  0
 68 82  2  0  0  0  0
 69 49  1  0  0  0  0
 70 69  1  0  0  0  0
 71 70  1  0  0  0  0
 71 48  1  0  0  0  0
 72 47  2  0  0  0  0
 73 37  1  0  0  0  0
 74 36  2  0  0  0  0
 75 30  2  0  0  0  0
 76 23  2  0  0  0  0
 77 20  1  0  0  0  0
 78 77  2  0  0  0  0
 78 17  1  0  0  0  0
 79 15  2  0  0  0  0
 80  5  2  0  0  0  0
  4 81  1  6  0  0  0
 82 81  1  0  0  0  0
 83 82  1  0  0  0  0
 84 83  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 87  1  0  0  0  0
 89 88  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  2  0  0  0  0
 92 91  1  0  0  0  0
 92 88  1  0  0  0  0
 93 92  2  0  0  0  0
 94 89  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004886-3D
FYIcenter.com

199202  0  0  1  0  0  0  0  0999 V2000
  -10.7410  -18.4376  -15.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4199  -17.5695  -14.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0647  -16.8234  -14.6749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.7403  -16.2081  -13.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0332  -15.8791  -15.9124 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.1483  -14.8063  -16.1654 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.0580  -13.5547  -15.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0463  -12.3804  -15.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0617  -11.6189  -14.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9439  -12.1118  -16.3988 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1363  -11.4386  -15.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2554  -11.9132  -16.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5829  -12.2198  -18.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0452  -12.3387  -17.8846 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.9755  -11.5678  -18.9168 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6383  -11.7264  -18.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5331  -12.4130  -18.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9774  -10.0032  -19.1238 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2442   -9.4846  -20.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2278   -9.1723  -18.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3468   -9.4525  -19.2780 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9409   -7.9829  -18.2339 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9125   -7.0051  -17.7295 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.6701   -7.5767  -16.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9424   -6.4245  -18.7355 C   0  0  1  0  0  0  0  0  0  0  0  0
  -14.7280   -5.4040  -18.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3853   -5.7533  -19.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7379   -6.2359  -21.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3614   -5.5390  -22.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6363   -4.3536  -22.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2608   -3.8760  -21.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6247   -4.5803  -19.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9680  -14.3612  -17.4998 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2673  -15.1930  -18.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6709  -15.4560  -16.3803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8024  -14.7113  -15.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1385  -16.1546  -17.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7743  -17.1089  -17.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7380  -15.7745  -18.0853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7490  -16.5771  -17.3842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1518  -17.7736  -17.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750  -18.3484  -18.7575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557  -18.3367  -16.4741 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5785  -17.6368  -15.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9764  -16.2240  -14.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967  -18.4965  -13.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388  -18.5921  -16.8153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549  -17.4800  -17.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352  -19.8838  -16.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227  -20.8149  -16.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0996  -19.9126  -16.9117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992  -20.9640  -16.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4590  -22.3192  -16.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800  -22.7545  -18.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417  -24.0182  -18.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0388  -24.8540  -18.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047  -26.1006  -18.5698 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705  -26.7428  -19.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567  -26.3177  -20.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108  -28.0675  -20.1526 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0245  -27.9330  -21.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398  -27.5780  -22.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027  -28.5725  -22.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628  -28.1816  -23.6120 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393  -28.5541  -24.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349  -28.1317  -25.6372 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3842  -29.2062  -25.4516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575  -28.6227  -19.2765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320  -29.3153  -18.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990  -29.7208  -17.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4422  -29.5754  -17.2069 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0201  -30.8404  -17.6741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2987  -30.9301  -18.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1459  -30.0368  -18.1708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6580  -32.3071  -18.7155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0564  -32.2203  -20.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5003  -33.5685  -20.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8761  -33.4579  -22.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3307  -34.7943  -22.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6387  -34.7060  -24.2398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8565  -34.3521  -24.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8718  -34.0558  -24.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7268  -34.3013  -26.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4410  -34.5238  -26.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7099  -34.7215  -25.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960  -34.7972  -25.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152  -29.6651  -15.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066  -28.3429  -15.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1926  -30.0298  -14.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462  -24.4282  -16.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4886  -23.1743  -16.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5759  -15.7379  -19.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272  -15.3377  -20.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0926  -16.9593  -20.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6510  -19.0169  -15.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9225  -19.1347  -15.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9211  -17.8420  -16.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4068  -18.2225  -13.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2316  -16.8506  -14.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2930  -17.5903  -14.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4533  -15.4348  -13.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7309  -15.7968  -13.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7735  -16.9796  -12.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3203  -16.5930  -16.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1463  -15.2459  -16.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0683  -13.0967  -15.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1764  -13.8986  -14.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9587  -10.3678  -16.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3596  -11.6780  -14.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0511  -11.1632  -16.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7111  -12.8221  -16.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8648  -11.4939  -18.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0014  -13.1700  -18.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8701  -13.4000  -18.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0678  -12.0543  -19.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6370  -11.8878  -18.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4647  -12.5266  -19.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3966  -13.3828  -18.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3019   -9.6513  -18.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6820   -9.8333  -21.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1847   -9.7700  -20.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2553   -8.3841  -20.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9710   -7.7412  -18.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2967   -6.1795  -17.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3422   -8.3836  -16.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2769   -6.8032  -16.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9817   -7.9746  -15.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6492   -7.2083  -19.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1380   -4.6783  -17.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3211   -7.1509  -21.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6489   -5.9213  -23.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3647   -3.7956  -23.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7005   -2.9520  -20.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3519   -4.1909  -18.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1239  -14.5823  -19.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2968  -15.5419  -18.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5727  -16.0147  -18.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3775  -14.2332  -14.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2536  -13.9336  -15.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0920  -15.4122  -15.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5378  -14.7441  -17.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833  -16.2990  -16.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8456  -19.3158  -16.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6674  -17.5548  -14.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910  -16.2543  -14.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815  -15.7519  -14.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886  -15.5337  -15.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0088  -18.6022  -13.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5519  -19.4903  -13.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848  -18.0286  -12.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237  -16.5824  -17.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056  -17.7404  -17.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284  -17.2953  -16.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427  -20.9741  -15.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465  -20.6769  -16.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408  -22.1234  -18.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5399  -24.3021  -19.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486  -26.5537  -18.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928  -28.8116  -20.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905  -28.8823  -21.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208  -27.1786  -21.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142  -26.5614  -22.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4415  -27.5458  -23.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313  -29.5636  -22.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844  -28.6588  -21.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603  -27.5433  -23.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1894  -27.9469  -25.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4117  -28.5435  -26.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516  -28.4659  -19.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1726  -28.7662  -17.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344  -31.6773  -17.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4965  -32.6752  -18.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8304  -33.0155  -18.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2085  -31.8295  -20.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8730  -31.4930  -20.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3655  -33.9410  -20.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6905  -34.3040  -20.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0148  -33.0818  -22.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6782  -32.7190  -22.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2020  -35.1701  -22.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5079  -35.5336  -22.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5384  -34.0959  -26.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9806  -34.5349  -27.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534  -30.4477  -15.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1165  -27.5155  -15.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001  -28.0850  -15.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271  -28.4117  -14.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9810  -29.2715  -14.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624  -30.1070  -13.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6282  -30.9956  -15.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172  -25.0284  -16.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0641  -22.8387  -15.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2154  -14.9105  -19.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5560  -16.1533  -20.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5508  -14.9850  -19.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1385  -14.5029  -20.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3631  -17.7575  -20.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4072  -16.6581  -21.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9718  -17.4120  -19.9503 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
  1 97  1  0  0  0  0
  2 98  1  0  0  0  0
  2 99  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3100  1  6  0  0  0
  4101  1  0  0  0  0
  4102  1  0  0  0  0
  4103  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5104  1  6  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6105  1  1  0  0  0
  7  8  1  0  0  0  0
  7106  1  0  0  0  0
  7107  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11108  1  0  0  0  0
 11109  1  0  0  0  0
 12 13  1  0  0  0  0
 12110  1  0  0  0  0
 12111  1  0  0  0  0
 13 14  1  0  0  0  0
 13112  1  0  0  0  0
 13113  1  0  0  0  0
 14114  1  6  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  1  0  0  0  0
 15115  1  6  0  0  0
 16 17  1  0  0  0  0
 17116  1  0  0  0  0
 17117  1  0  0  0  0
 17118  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18119  1  1  0  0  0
 19120  1  0  0  0  0
 19121  1  0  0  0  0
 19122  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22123  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 22  1  0  0  0  0
 23124  1  1  0  0  0
 24125  1  0  0  0  0
 24126  1  0  0  0  0
 24127  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25128  1  6  0  0  0
 26129  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  2  0  0  0  0
 28 29  2  0  0  0  0
 28130  1  0  0  0  0
 29 30  1  0  0  0  0
 29131  1  0  0  0  0
 30 31  2  0  0  0  0
 30132  1  0  0  0  0
 31 32  1  0  0  0  0
 31133  1  0  0  0  0
 32134  1  0  0  0  0
 33 34  1  0  0  0  0
 34135  1  0  0  0  0
 34136  1  0  0  0  0
 34137  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36138  1  0  0  0  0
 36139  1  0  0  0  0
 36140  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 92  1  0  0  0  0
 39141  1  1  0  0  0
 40 41  1  0  0  0  0
 40142  1  0  0  0  0
 41 42  2  0  0  0  0
 43 47  1  0  0  0  0
 43 44  1  0  0  0  0
 43 41  1  0  0  0  0
 43143  1  1  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44144  1  0  0  0  0
 45145  1  0  0  0  0
 45146  1  0  0  0  0
 45147  1  0  0  0  0
 46148  1  0  0  0  0
 46149  1  0  0  0  0
 46150  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48151  1  0  0  0  0
 48152  1  0  0  0  0
 48153  1  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
 52 53  1  0  0  0  0
 52154  1  0  0  0  0
 52155  1  0  0  0  0
 53 54  1  0  0  0  0
 53 91  2  0  0  0  0
 54 55  2  0  0  0  0
 54156  1  0  0  0  0
 55 56  1  0  0  0  0
 55157  1  0  0  0  0
 56 57  1  0  0  0  0
 56 90  2  0  0  0  0
 57 58  1  0  0  0  0
 57158  1  0  0  0  0
 58 59  2  0  0  0  0
 60 68  1  0  0  0  0
 60 61  1  0  0  0  0
 60 58  1  0  0  0  0
 60159  1  6  0  0  0
 61 62  1  0  0  0  0
 61160  1  0  0  0  0
 61161  1  0  0  0  0
 62 63  1  0  0  0  0
 62162  1  0  0  0  0
 62163  1  0  0  0  0
 63 64  1  0  0  0  0
 63164  1  0  0  0  0
 63165  1  0  0  0  0
 64 65  1  0  0  0  0
 64166  1  0  0  0  0
 65 66  1  0  0  0  0
 65 67  2  0  0  0  0
 66167  1  0  0  0  0
 66168  1  0  0  0  0
 68 69  1  0  0  0  0
 68169  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
 71 87  1  0  0  0  0
 71170  1  6  0  0  0
 72 73  1  0  0  0  0
 72171  1  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
 75 76  1  0  0  0  0
 75172  1  0  0  0  0
 75173  1  0  0  0  0
 76 77  1  0  0  0  0
 76174  1  0  0  0  0
 76175  1  0  0  0  0
 77 78  1  0  0  0  0
 77176  1  0  0  0  0
 77177  1  0  0  0  0
 78 79  1  0  0  0  0
 78178  1  0  0  0  0
 78179  1  0  0  0  0
 79 80  1  0  0  0  0
 79180  1  0  0  0  0
 79181  1  0  0  0  0
 80 81  1  0  0  0  0
 80 85  1  0  0  0  0
 81 82  2  0  0  0  0
 81 83  1  0  0  0  0
 83 84  2  0  0  0  0
 83182  1  0  0  0  0
 84 85  1  0  0  0  0
 84183  1  0  0  0  0
 85 86  2  0  0  0  0
 87 88  1  0  0  0  0
 87 89  1  0  0  0  0
 87184  1  0  0  0  0
 88185  1  0  0  0  0
 88186  1  0  0  0  0
 88187  1  0  0  0  0
 89188  1  0  0  0  0
 89189  1  0  0  0  0
 89190  1  0  0  0  0
 90 91  1  0  0  0  0
 90191  1  0  0  0  0
 91192  1  0  0  0  0
 92 93  1  0  0  0  0
 92 94  1  0  0  0  0
 92193  1  0  0  0  0
 93194  1  0  0  0  0
 93195  1  0  0  0  0
 93196  1  0  0  0  0
 94197  1  0  0  0  0
 94198  1  0  0  0  0
 94199  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-15, 1895👍, 0💬