
     RDKit          3D

 99105  0  0  0  0  0  0  0  0999 V2000
   -5.0063    3.7864    1.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7684    3.5829   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547    2.5478   -0.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    1.2680   -0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2876    0.7436   -1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6500    0.9204   -2.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8690    0.4475   -2.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7160   -0.2251   -2.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3594   -0.4001   -0.8024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1947    0.0776   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9239   -0.2354    1.1941 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.2150   -0.0501    2.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8942    0.5963    1.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3920    0.0989    2.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7425    0.6475   -1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772    1.5966   -0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.5535   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723    2.6810   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2908    3.8392   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940    3.8705    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130    2.7212   -0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    2.6019   -0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7386    3.6402   -0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970    3.0718   -0.6839 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814    1.5562   -1.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    1.4534   -1.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6662    0.4102   -1.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7764   -0.5959   -0.3925 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6277   -0.0428    0.6678 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0889    0.6973    1.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648    0.5954    2.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9257    1.6300    2.6329 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3611    1.1957    2.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0839    2.3375    1.9396 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4098    3.7336    2.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3456   -1.8984   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5802   -1.9864   -1.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4851   -3.0112   -1.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -4.3722   -1.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -5.3337   -0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6845   -5.1567   -1.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193   -3.6859   -1.5195 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3001   -2.7593   -1.9139 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5739   -3.2490   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -3.0982    0.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1945   -2.9957   -0.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577   -2.3520   -1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9165   -1.8107   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -1.2578    0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9046   -2.9944   -0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5097   -0.7355   -1.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6369    2.9683    1.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5448    4.7418    1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0469    3.8208    1.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7319    3.3170   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    4.5386   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9882    1.4405   -3.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1558    0.6043   -3.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6601   -0.6182   -2.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6311   -1.3103    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0706   -0.3749    3.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5290    1.0166    2.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0386   -0.6733    1.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0515    0.3953    3.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060    0.5673    3.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2442   -1.0022    2.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0641    0.6715   -1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    4.7175    0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1967    4.7661    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990    4.6327   -0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -0.0803   -2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6669    0.7900   -1.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599   -0.8127    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6532   -0.0024    0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4362    2.1620    3.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7311    1.4991    3.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6985    0.2475    2.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    2.1105    0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8183    4.4809    1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    3.9406    2.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677    3.8477    3.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -4.6791   -2.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8959   -4.4178   -0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7513   -5.1403    0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246   -6.3777   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761   -5.5163   -2.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8806   -5.7938   -1.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4428   -3.6475   -2.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5198   -2.9349   -2.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7335   -3.0553   -1.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464   -1.5166   -1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308   -0.7603    1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -0.5396    0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843   -2.0744    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8694   -2.6591   -0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -3.4332   -1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -3.7991    0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466   -0.6200   -2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4697   -1.0929   -2.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  4 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 18 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 28 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  1  0
 48 51  1  0
 21  3  1  0
 26 22  1  0
 34 32  1  0
 43 38  1  0
 10  5  1  0
 51 15  1  0
 21 16  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  2 55  1  0
  2 56  1  0
  6 57  1  0
  7 58  1  0
  8 59  1  0
 11 60  1  6
 12 61  1  0
 12 62  1  0
 12 63  1  0
 14 64  1  0
 14 65  1  0
 14 66  1  0
 17 67  1  0
 19 68  1  0
 20 69  1  0
 23 70  1  0
 27 71  1  0
 27 72  1  0
 28 73  1  1
 29 74  1  0
 32 75  1  1
 33 76  1  0
 33 77  1  0
 34 78  1  6
 35 79  1  0
 35 80  1  0
 35 81  1  0
 39 82  1  0
 39 83  1  0
 40 84  1  0
 40 85  1  0
 41 86  1  0
 41 87  1  0
 42 88  1  6
 43 89  1  0
 47 90  1  0
 47 91  1  0
 49 92  1  0
 49 93  1  0
 49 94  1  0
 50 95  1  0
 50 96  1  0
 50 97  1  0
 51 98  1  0
 51 99  1  0
M  END
$$$$
