
     RDKit          3D

 97100  0  0  0  0  0  0  0  0999 V2000
   -5.4283   -3.8396   -1.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3072   -2.9145   -0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -3.3555    0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7338   -2.5038    1.1307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -1.7665    2.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8698   -1.3701    3.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7854   -0.7038    4.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343   -0.4093    4.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -0.7831    4.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -1.4282    2.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -1.7647    2.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6923   -2.4271    2.7507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0055   -1.3912    0.7862 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095    0.0047    0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    0.6214    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7729    0.4395    2.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487    1.4875   -0.0498 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3719    2.1574    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555    1.1443    0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1718    1.1648    1.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1785    0.2189    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4740   -0.7620    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5918   -1.7441    1.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9069   -1.1070    1.1634 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9842   -1.9554    1.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3600   -1.2860    1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2715   -0.1277    0.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6163   -0.4519   -0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1538   -0.8551   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7699   -0.7679   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798    0.1886   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048    0.8669    0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0010    2.2356    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423    3.1612    0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235    2.4778   -1.2222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269    2.5855   -1.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    3.9562   -2.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591    4.1449   -2.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580    5.0161   -1.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8088    2.3858   -0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7057    3.1172    0.5141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8355    1.3708   -0.5163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3749    0.7134   -1.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9276    0.8307   -1.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4655    0.4685   -3.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6645    0.0064   -0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8745   -0.7101   -1.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5434   -1.1820   -2.9154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7952   -1.5366   -0.6233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7528   -3.5511   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0896   -4.8983   -1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3008   -3.7746   -0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -2.9810   -1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6373   -3.3951    1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4006   -4.3878    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8460   -1.5553    2.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882   -0.4135    4.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    0.0944    5.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4017   -0.5389    4.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418   -2.1069    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437   -0.0183   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082    1.6547   -1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    2.7780    1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172    2.8487   -0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9432    1.9072    2.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7266    0.2495    3.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5091   -2.0871    2.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -2.6503    0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8343   -2.1105    2.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9842   -2.9556    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7774   -0.9815    2.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   -2.0166    1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6463    0.4398   -1.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1611   -1.2626   -1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9281   -1.7592   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866   -0.0342   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017   -1.5018   -0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    0.1836   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.9697    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373    0.3791    0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6661    2.7049   -1.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651    1.7909   -2.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429    3.9795   -3.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5294    5.1271   -3.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6924    3.3488   -3.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    4.1170   -2.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4011    5.1818   -0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2405    1.1196    0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0132    1.2501   -2.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1701    1.9061   -1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9732    1.0894   -3.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5579    0.6584   -3.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2856   -0.6061   -3.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2950    0.2282    0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7504    0.2625   -0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5505   -1.0826   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2725   -1.2209    0.2526 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  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  2  0
 14 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 36 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 43 47  1  0
 47 48  2  0
 47 49  1  0
 49  2  1  0
 10  5  1  0
 31 19  1  0
 29 24  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
  2 53  1  0
  3 54  1  0
  3 55  1  0
  6 56  1  0
  7 57  1  0
  8 58  1  0
  9 59  1  0
 13 60  1  0
 14 61  1  0
 17 62  1  0
 18 63  1  0
 18 64  1  0
 20 65  1  0
 21 66  1  0
 23 67  1  0
 23 68  1  0
 25 69  1  0
 25 70  1  0
 26 71  1  0
 26 72  1  0
 28 73  1  0
 28 74  1  0
 29 75  1  0
 29 76  1  0
 30 77  1  0
 31 78  1  0
 32 79  1  0
 32 80  1  0
 35 81  1  0
 36 82  1  0
 37 83  1  0
 38 84  1  0
 38 85  1  0
 38 86  1  0
 39 87  1  0
 42 88  1  0
 43 89  1  0
 44 90  1  0
 45 91  1  0
 45 92  1  0
 45 93  1  0
 46 94  1  0
 46 95  1  0
 46 96  1  0
 49 97  1  0
M  END
$$$$
