
     RDKit          3D

137142  0  0  0  0  0  0  0  0999 V2000
    3.8860   -6.1067    1.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5126   -4.7381    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732   -4.8957   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -3.6569    1.5240 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5341   -2.2545    1.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -1.3515    1.8427 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5465   -1.9685   -0.3483 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608   -1.7335   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438   -0.2718   -1.5648 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7476    0.5401   -0.7375 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542    0.2786   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6853   -0.7361   -1.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0094    1.1785    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3649    0.9561    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    2.0118    1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0133    2.3065    1.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229    3.4741    2.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9976    4.3063    2.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7517    3.9763    2.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    2.8154    1.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5925    2.3198    0.8607 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2403   -0.1989   -3.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3065   -0.7562   -3.3980 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.4166   -4.0442 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    0.6923   -3.9191 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2497   -0.6297   -3.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779    1.9123   -3.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    2.7923   -3.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6481    2.1743   -2.1259 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    3.2018   -1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2825    1.6502   -2.3482 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2992    1.0197   -1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -0.1365   -0.2625 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538   -0.9401    0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0274   -2.4426    1.0260 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9394   -2.6795    2.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600   -1.9834    3.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8694   -3.7769    2.1254 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6073   -4.8810    3.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2661   -3.2272    1.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3822   -4.5518    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3365   -2.7389    2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0993   -2.4912    3.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7598   -2.5794    1.5427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8699   -2.5676    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3990   -1.3728    2.0848 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8058   -0.0678    2.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591    0.1496    2.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347    1.0616    1.2867 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8312    0.7546    0.9722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9062    1.1912    1.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7972    2.2650    2.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1396    0.3988    1.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2915   -0.9329    1.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5693   -1.2721    1.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2534   -2.4803    1.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5607   -2.5379    2.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1452   -1.3957    2.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4255   -0.1886    3.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1322   -0.1659    2.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2688    0.8629    2.5191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381    1.3299    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2635    2.3496   -0.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7375    3.6365   -0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4317    4.6028   -0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468    3.8955   -1.5060 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2218    5.3749   -2.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9331    5.6112   -3.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738    5.8837   -2.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    2.9064   -2.5566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820    2.2925   -3.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016    2.7231   -2.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    3.3352   -3.9614 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040   -5.9991    1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466   -6.7797    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0212   -6.5977    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152   -4.4171   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -5.5861   -1.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148   -3.9238   -1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756   -5.3172   -0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -3.8157    2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6331   -2.0068   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7683   -2.4367   -1.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    0.1660   -1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321    1.3841   -0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9793    0.1339    0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8627    1.6595    1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0740    3.7346    3.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0967    5.2031    3.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8867    4.6086    2.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6414    2.7428    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    0.5796   -4.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072    1.0032   -4.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403   -1.4933   -3.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755   -0.7013   -4.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -0.7809   -2.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    3.4697   -0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    2.8251   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2433    4.1367   -1.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    0.8638   -3.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    0.4768   -1.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5393    1.7976   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3542   -0.8490    0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3834   -0.3922    1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -2.8026    0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5483   -5.2765    3.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0797   -5.6990    2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706   -4.5517    3.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269   -5.0556    0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3468   -4.4533   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5532   -5.2053    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3331   -3.4647    1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8865   -2.2579   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -3.5820   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366   -1.8736   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2903   -1.4861    2.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3780    1.9768    1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0271    0.0525    0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5559   -1.5803    1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7954   -3.3568    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1198   -3.4647    2.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1465   -1.4510    3.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8583    0.6925    3.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4345    1.8141    2.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5842    0.4100   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159    1.6358    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462    3.7789   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088    6.0431   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9195    6.6937   -3.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9925    5.2872   -3.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251    5.0598   -4.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2214    5.4938   -2.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657    6.9971   -2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315    5.6183   -1.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9890    2.7357   -3.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0364    1.2029   -3.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051    2.4406   -4.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
  9 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 35 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 49 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 67  1  0
 67 68  1  0
 67 69  1  0
 66 70  1  0
 70 71  1  0
 70 72  1  0
 72 73  2  0
 38  4  1  0
 61 53  1  0
 21 13  1  0
 72 31  1  0
 20 15  1  0
 60 55  1  0
  1 74  1  0
  1 75  1  0
  1 76  1  0
  2 77  1  0
  3 78  1  0
  3 79  1  0
  3 80  1  0
  4 81  1  1
  8 82  1  0
  8 83  1  0
  9 84  1  6
 10 85  1  0
 14 86  1  0
 16 87  1  0
 17 88  1  0
 18 89  1  0
 19 90  1  0
 21 91  1  0
 24 92  1  0
 25 93  1  6
 26 94  1  0
 26 95  1  0
 26 96  1  0
 30 97  1  0
 30 98  1  0
 30 99  1  0
 31100  1  6
 32101  1  0
 32102  1  0
 34103  1  0
 34104  1  0
 35105  1  6
 39106  1  0
 39107  1  0
 39108  1  0
 41109  1  0
 41110  1  0
 41111  1  0
 44112  1  1
 45113  1  0
 45114  1  0
 45115  1  0
 46116  1  0
 49117  1  1
 50118  1  0
 54119  1  0
 56120  1  0
 57121  1  0
 58122  1  0
 59123  1  0
 61124  1  0
 62125  1  0
 62126  1  0
 66127  1  1
 67128  1  0
 68129  1  0
 68130  1  0
 68131  1  0
 69132  1  0
 69133  1  0
 69134  1  0
 71135  1  0
 71136  1  0
 71137  1  0
M  END
$$$$
