
     RDKit          3D

 91 94  0  0  0  0  0  0  0  0999 V2000
   -3.6781    5.2647   -1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621    3.7843   -0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6632    3.6385    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476    3.1965   -1.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443    1.7324   -1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    1.3462   -1.6872 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    1.8351   -1.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267    2.3715   -1.9105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8814    1.7242    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    1.0189    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5131   -0.2340   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013   -0.8863    0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756   -1.8705    0.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0584   -0.2196   -0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7727    0.2949    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1233   -0.4050    1.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2444    0.2418    0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    0.1101   -0.9513 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3899   -1.2285   -1.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8650    0.7458   -1.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713   -0.0959   -1.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806   -1.1763   -0.3195 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -2.0444    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -3.2794    0.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5840   -1.5354    2.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399   -1.8449    3.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1519   -1.4010    4.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151   -0.6264    4.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548   -0.3227    3.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.8099    2.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -0.5370    1.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9066   -1.3586    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116   -1.2687   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -2.3941   -1.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2542   -2.8308   -0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7040   -3.3983    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0341   -3.8008    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9242   -3.6594   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4837   -3.1200   -1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1476   -2.7255   -2.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8269    0.0629   -0.5866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677    0.3729   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226    0.7756   -1.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607    0.6371   -2.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009    5.3816   -2.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6588    5.6702   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695    5.8585   -0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    3.2600   -1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5567    4.1835    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7881    2.5705    0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7489    4.0451    1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3948    3.8241   -1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2613    3.2655   -2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8756    1.6709    0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446    1.1069   -2.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8896    2.7509    0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825    1.1701    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    0.7475    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    1.7631    0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010    0.1177   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    1.3971    1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1725    0.1131    2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0239   -1.4862    1.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -0.3342    2.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3231    1.3201    0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2126   -0.2139    0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2696   -1.2392   -2.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7400   -2.0008   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4473   -1.4805   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126    1.7565   -1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    0.9327   -2.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056    0.4078   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287   -1.1075   -1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624   -1.4471   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3293   -2.4382    2.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159   -1.6625    5.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984   -0.2727    5.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399    0.2747    3.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -1.0615   -0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765   -2.4099    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396   -1.4468    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1942   -3.3070   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5915   -2.0820   -2.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0236   -3.5287    1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3830   -4.2331    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9548   -3.9464   -0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1719   -3.0215   -2.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8164   -2.3255   -2.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7689   -0.0733    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4405    1.4681   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7448   -0.0174   -1.5001 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  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 11 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 33 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 43  5  1  0
 21 14  1  0
 30 25  1  0
 40 35  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  3 49  1  0
  3 50  1  0
  3 51  1  0
  4 52  1  0
  4 53  1  0
  5 54  1  0
  6 55  1  0
  9 56  1  0
  9 57  1  0
 10 58  1  0
 10 59  1  0
 11 60  1  0
 15 61  1  0
 15 62  1  0
 16 63  1  0
 16 64  1  0
 17 65  1  0
 17 66  1  0
 19 67  1  0
 19 68  1  0
 19 69  1  0
 20 70  1  0
 20 71  1  0
 21 72  1  0
 21 73  1  0
 22 74  1  0
 26 75  1  0
 27 76  1  0
 28 77  1  0
 29 78  1  0
 32 79  1  0
 32 80  1  0
 33 81  1  0
 34 82  1  0
 34 83  1  0
 36 84  1  0
 37 85  1  0
 38 86  1  0
 39 87  1  0
 40 88  1  0
 42 89  1  0
 42 90  1  0
 42 91  1  0
M  END
$$$$
