Molecule Editor

Molecule ID: FYI-1015520 Edit

Molecule Structure InChIKey: CQGLJYKDXMKDKS-FOXIQGDLSA-N

Molecule Structure SMILES String: CCC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1015520
FYIcenter.com

104106  0  0  1  0  0  0  0  0999 V2000
   37.9205    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.9205    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2166   28.7299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.1329    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3453    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5578    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7702    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.9826    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1950    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.9826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.7081    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7081    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4956    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2832    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0708    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0708    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8584    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6458    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2549   27.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6458    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4334    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4334    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4334    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2210    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0086    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472   27.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0086    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7961    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5837    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7961    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7961    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7961    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5837    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3713    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1589    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1589    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9464    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7340    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4701   26.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7340    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9464    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3092    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0966    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9006   25.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0966    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3092    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8842    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8842    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8842    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6718    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4594    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2469    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2469    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0345    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1158   24.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8187    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8882    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4644    5.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5049    6.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1330    5.8715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8419    7.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7235   23.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823    8.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2138    7.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912    9.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5104    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4701    6.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193    9.0429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8878    9.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   10.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6372   11.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   11.2775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8327   12.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3693   21.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327   12.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   10.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555   13.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480   13.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861   15.0206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091   16.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2304   19.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3014   16.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397   17.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   17.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   18.5648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   19.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160   20.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   20.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8466   22.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466   23.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4075   20.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097   24.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   23.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771   22.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389   23.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083   24.8931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7618   22.4815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1541   22.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9770   21.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 26  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  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  6  0  0  0
 19 26  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  1  0  0  0
 26 39  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  1  0  0  0
 39 46  1  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 38  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  6  0  0  0
 46 66  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 49 47  1  0  0  0  0
 50 45  1  0  0  0  0
 51 50  2  0  0  0  0
 52 50  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  1  0  0  0  0
 57 56  1  0  0  0  0
 58 66  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
 61 56  1  0  0  0  0
 57 62  1  1  0  0  0
 63 62  2  0  0  0  0
 64 62  1  0  0  0  0
 65 64  1  6  0  0  0
 66103  1  0  0  0  0
 67 65  1  0  0  0  0
 68 67  1  0  0  0  0
 69 67  1  0  0  0  0
 70 65  1  0  0  0  0
 71 70  2  0  0  0  0
 72 70  1  0  0  0  0
 73 72  1  0  0  0  0
 74 73  1  0  0  0  0
 75 74  2  0  0  0  0
 76 74  1  0  0  0  0
 77 76  1  0  0  0  0
 78104  1  0  0  0  0
 79 77  1  0  0  0  0
 80 79  1  0  0  0  0
 81 80  1  0  0  0  0
 81 76  1  0  0  0  0
 77 82  1  1  0  0  0
 83 82  2  0  0  0  0
 84 82  1  0  0  0  0
 85 84  1  6  0  0  0
 86 96  1  0  0  0  0
 87 85  1  0  0  0  0
 88 85  1  0  0  0  0
 89 88  2  0  0  0  0
 90 88  1  0  0  0  0
 91 90  1  0  0  0  0
 92 91  1  0  0  0  0
 93 92  2  0  0  0  0
 94 92  1  0  0  0  0
 95 94  1  0  0  0  0
 96104  1  0  0  0  0
 97 95  1  0  0  0  0
 98 97  1  0  0  0  0
 99 98  1  0  0  0  0
 99 94  1  0  0  0  0
 95100  1  1  0  0  0
101100  2  0  0  0  0
102100  1  0  0  0  0
103102  1  1  0  0  0
104103  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015520-3D
FYIcenter.com

206208  0  0  1  0  0  0  0  0999 V2000
    9.6985    2.9054   31.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1632    3.3818   30.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5664    4.7462   29.9834 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9781    5.8393   30.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9761    5.1596   28.5417 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6146    4.1446   27.5499 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2501    4.0964   26.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3028    4.6814   26.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5333    3.1791   25.2781 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4138    2.9523   24.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4549    2.4172   22.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1119    3.0368   23.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2711    3.6200   24.6543 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724    4.2542   25.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5014    4.8330   26.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8606    4.2852   24.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    4.5581   25.7558 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    3.8237   26.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151    3.0999   27.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451    3.8456   27.6910 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6387    3.8848   29.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6437    2.6445   27.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988    1.6288   26.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    1.5976   25.8326 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    0.5168   26.5983 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6812   -0.7868   26.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996   -1.6187   25.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638   -0.5812   24.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974    0.6641   25.6003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    1.9172   25.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053    2.9814   25.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850    2.0024   24.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6987    1.2426   24.2412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9360    1.4746   23.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9136    1.0070   24.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444    2.3711   22.3999 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7655    1.9385   21.6488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    2.6871   20.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    3.8319   20.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103    2.0191   20.4281 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5576    2.3942   18.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087    1.5159   18.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6258    0.2828   19.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362    0.5614   20.4204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3344   -0.4021   21.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7187   -0.2973   22.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474   -1.6409   21.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4903   -2.8739   21.4786 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1155   -4.0490   21.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3231   -4.0748   20.8741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299   -5.2202   20.8384 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6490   -4.8689   19.6334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0507   -4.6861   18.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644   -4.7752   18.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -4.5124   17.1808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3612   -3.8611   15.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889   -4.6394   15.4009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652   -3.8215   17.6333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242   -2.6814   17.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4684   -2.1573   16.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0345   -2.1841   17.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2144   -2.7869   17.2512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5760   -4.0685   17.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9576   -4.6897   18.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8055   -4.7298   16.8384 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8707   -3.7854   16.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3890   -2.9984   15.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8707   -1.8970   15.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4973   -3.6209   13.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3996   -5.4671   17.9402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4820   -6.3038   17.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0679   -6.6914   16.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9638   -6.5536   19.4400 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.3787   -5.9554   19.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9258   -6.0366   20.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0415   -5.8923   20.4052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7883   -6.4040   20.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4262   -7.5312   20.3784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8419   -5.3949   21.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7709   -5.6142   22.7681 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7461   -5.0937   23.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6350   -4.3576   23.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6252   -5.5274   25.0637 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8249   -6.9859   25.1559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2577   -5.1772   25.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724   -3.6695   25.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6028   -3.3970   26.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689   -1.9868   26.2622 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1587   -1.4331   26.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128   -2.0222   27.2250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.0932   26.7694 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -6.6446   20.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -6.9813   21.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4151   -7.6862   20.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644    2.2783   21.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2640    0.9237   20.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778    2.6321   22.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2751    6.4999   28.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9078    7.5656   28.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8817    6.5278   28.2480 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1955    7.7518   27.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727    7.6545   27.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740    6.6719   28.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0789    8.8446   27.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0913    1.9050   31.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6056    2.8580   31.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0509    3.5628   32.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8691    2.6197   29.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2582    3.4322   30.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4728    4.6508   30.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0681    5.9160   31.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5800    5.6364   31.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5911    6.8235   30.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0607    5.3236   28.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6249    3.9067   27.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292    2.2157   25.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2459    2.2683   24.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8366    3.9011   23.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941    1.3247   23.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7687    2.6791   21.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3318    2.2683   23.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    3.8195   22.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6051    3.3482   24.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8260    5.1051   24.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    4.9374   25.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575    4.7123   27.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1271    2.9669   29.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6651    3.9374   29.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429    4.7317   29.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433    2.7697   27.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769    0.4456   27.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353   -1.2520   27.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4800   -0.6449   25.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464   -2.1123   26.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9901   -2.3957   24.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -0.9199   24.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981   -0.3722   23.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0786    1.6346   23.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342    3.0479   23.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412    0.3332   24.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8010    3.4107   22.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4616    0.9795   21.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654    2.4928   21.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    3.4590   18.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354    2.1530   18.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    2.0276   18.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367    1.2564   17.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    0.0844   19.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925   -0.6020   18.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -1.6171   22.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406   -1.6811   20.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -2.8987   21.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -5.1885   21.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6055   -5.1890   19.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3493   -5.5309   16.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903   -3.7641   15.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274   -2.8681   16.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521   -4.1136   14.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8495   -4.3069   18.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1209   -1.1035   17.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9574   -2.4315   18.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5710   -2.3325   16.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4400   -5.4334   16.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7693   -4.3318   15.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2047   -3.0880   17.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9505   -4.4877   13.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9684   -5.2959   18.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9647   -7.6276   19.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3817   -4.9010   19.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0582   -6.4847   18.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3586   -5.5280   21.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3024   -5.0011   20.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1571   -4.3675   21.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8372   -5.5320   20.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2512   -6.4220   23.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4207   -5.0303   25.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1342   -7.4968   24.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7351   -7.2253   24.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4533   -5.6803   25.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2124   -5.5613   26.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7545   -3.1521   26.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9959   -3.2620   24.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8398   -3.9594   25.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947   -3.7505   27.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0308   -1.3487   26.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343   -3.0298   27.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    0.3526   26.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311    0.2909   26.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3058   -6.7576   19.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0863   -6.9626   22.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -6.2934   22.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0493   -7.9875   21.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -7.6721   21.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0089   -8.6957   20.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126   -7.5087   19.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0074    3.0368   20.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9027    0.2198   21.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2954    0.4342   20.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6761    1.0724   19.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8176    1.8329   22.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2615    2.7895   21.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3822    3.5507   22.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561    5.6699   27.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005    8.0218   26.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5127    8.5346   28.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    8.6450   27.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1105  1  0  0  0  0
  1106  1  0  0  0  0
  1107  1  0  0  0  0
  2  3  1  0  0  0  0
  2108  1  0  0  0  0
  2109  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3110  1  0  0  0  0
  4111  1  0  0  0  0
  4112  1  0  0  0  0
  4113  1  0  0  0  0
  5  6  1  0  0  0  0
  5 98  1  0  0  0  0
  5114  1  6  0  0  0
  6  7  1  0  0  0  0
  6115  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9116  1  1  0  0  0
 10 11  1  0  0  0  0
 10117  1  0  0  0  0
 10118  1  0  0  0  0
 11 12  1  0  0  0  0
 11119  1  0  0  0  0
 11120  1  0  0  0  0
 12 13  1  0  0  0  0
 12121  1  0  0  0  0
 12122  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16123  1  0  0  0  0
 16124  1  0  0  0  0
 17 18  1  0  0  0  0
 17125  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 18  1  0  0  0  0
 20126  1  6  0  0  0
 21127  1  0  0  0  0
 21128  1  0  0  0  0
 21129  1  0  0  0  0
 22 23  1  0  0  0  0
 22130  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 25131  1  1  0  0  0
 26 27  1  0  0  0  0
 26132  1  0  0  0  0
 26133  1  0  0  0  0
 27 28  1  0  0  0  0
 27134  1  0  0  0  0
 27135  1  0  0  0  0
 28 29  1  0  0  0  0
 28136  1  0  0  0  0
 28137  1  0  0  0  0
 29 30  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
 32138  1  0  0  0  0
 32139  1  0  0  0  0
 33 34  1  0  0  0  0
 33140  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
 36 95  1  0  0  0  0
 36141  1  1  0  0  0
 37 38  1  0  0  0  0
 37142  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
 40 44  1  0  0  0  0
 40143  1  1  0  0  0
 41 42  1  0  0  0  0
 41144  1  0  0  0  0
 41145  1  0  0  0  0
 42 43  1  0  0  0  0
 42146  1  0  0  0  0
 42147  1  0  0  0  0
 43 44  1  0  0  0  0
 43148  1  0  0  0  0
 43149  1  0  0  0  0
 44 45  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
 47150  1  0  0  0  0
 47151  1  0  0  0  0
 48 49  1  0  0  0  0
 48152  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
 51 92  1  0  0  0  0
 51153  1  1  0  0  0
 52 53  1  0  0  0  0
 52154  1  0  0  0  0
 53 54  2  0  0  0  0
 55 58  1  0  0  0  0
 55 56  1  0  0  0  0
 55 53  1  0  0  0  0
 55155  1  6  0  0  0
 56 57  1  0  0  0  0
 56156  1  0  0  0  0
 56157  1  0  0  0  0
 57158  1  0  0  0  0
 58 59  1  0  0  0  0
 58159  1  0  0  0  0
 59 60  2  0  0  0  0
 59 61  1  0  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
 63 64  2  0  0  0  0
 65 70  1  0  0  0  0
 65 66  1  0  0  0  0
 65 63  1  0  0  0  0
 65163  1  6  0  0  0
 66 67  1  0  0  0  0
 66164  1  0  0  0  0
 66165  1  0  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
 69166  1  0  0  0  0
 70 71  1  0  0  0  0
 70167  1  0  0  0  0
 71 72  2  0  0  0  0
 73 76  1  0  0  0  0
 73 74  1  0  0  0  0
 73 71  1  0  0  0  0
 73168  1  1  0  0  0
 74 75  1  0  0  0  0
 74169  1  0  0  0  0
 74170  1  0  0  0  0
 75171  1  0  0  0  0
 76 77  1  0  0  0  0
 76172  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79173  1  0  0  0  0
 79174  1  0  0  0  0
 80 81  1  0  0  0  0
 80175  1  0  0  0  0
 81 82  2  0  0  0  0
 81 83  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  1  0  0  0  0
 83176  1  1  0  0  0
 84177  1  0  0  0  0
 84178  1  0  0  0  0
 85 86  1  0  0  0  0
 85179  1  0  0  0  0
 85180  1  0  0  0  0
 86 87  1  0  0  0  0
 86181  1  0  0  0  0
 86182  1  0  0  0  0
 87 88  1  0  0  0  0
 87183  1  0  0  0  0
 87184  1  0  0  0  0
 88 89  1  0  0  0  0
 88185  1  0  0  0  0
 89 90  2  0  0  0  0
 89 91  1  0  0  0  0
 90186  1  0  0  0  0
 91187  1  0  0  0  0
 91188  1  0  0  0  0
 92 93  1  0  0  0  0
 92 94  1  0  0  0  0
 92189  1  0  0  0  0
 93190  1  0  0  0  0
 93191  1  0  0  0  0
 93192  1  0  0  0  0
 94193  1  0  0  0  0
 94194  1  0  0  0  0
 94195  1  0  0  0  0
 95 96  1  0  0  0  0
 95 97  1  0  0  0  0
 95196  1  0  0  0  0
 96197  1  0  0  0  0
 96198  1  0  0  0  0
 96199  1  0  0  0  0
 97200  1  0  0  0  0
 97201  1  0  0  0  0
 97202  1  0  0  0  0
 98 99  2  0  0  0  0
 98100  1  0  0  0  0
100101  1  0  0  0  0
100203  1  0  0  0  0
101102  1  0  0  0  0
101204  1  0  0  0  0
101205  1  0  0  0  0
102103  2  0  0  0  0
102104  1  0  0  0  0
104206  1  0  0  0  0
M  END
$$$$