
     RDKit          3D

110115  0  0  0  0  0  0  0  0999 V2000
   -4.8152   -2.4254   -0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3523   -2.2181   -1.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277   -3.4683   -1.5862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894   -3.9404   -1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7471   -4.1243   -2.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9757   -4.2739    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820   -4.9747    0.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -6.4303    0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569   -6.7154    0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309   -5.3590    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5455   -3.0433    0.7401 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -2.3998    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1676   -1.7794    1.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -2.3668   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832   -1.1709   -1.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0502    0.1995   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1948    1.3052   -1.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819    1.4454   -2.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    2.1534   -1.9372 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2814    3.3681   -2.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6946    1.6679   -1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    2.1850   -0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8198    3.5015    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986    4.0105    1.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004    3.2369    2.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    1.9402    1.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0018    1.4232    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090    0.1462    0.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6877    0.1567   -0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2303   -1.2477   -0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1062   -2.1070    0.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7279   -2.3083    0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324   -1.0448    0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007    0.2355   -0.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    1.1109    0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4102    0.6447    1.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492    2.5533    0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972    3.0332    1.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878    4.4070    1.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0676    5.3068    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269    4.8416    0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425    3.4705    0.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048    3.0723   -0.1684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138    2.1636   -1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380    1.0082   -0.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1814    1.5151   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0350    2.0146    1.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1387    3.3882    1.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9424    3.8493    2.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586    2.9441    3.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.5742    3.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7688    1.1099    2.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595    0.0802   -1.9412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8442    0.4938   -3.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400   -1.0983   -2.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795   -1.1657   -2.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9114   -3.3187    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1781   -1.5530   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4653   -2.5760   -1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7741   -1.9330   -0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3124   -3.8280   -2.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0932   -4.5579    0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8402   -4.9095    1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -7.0813    1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -6.5649   -0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156   -7.2446    1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -7.3341   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7572   -5.3678   -0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205   -5.1974    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1701   -2.6607    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441   -3.2882   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438   -2.3643   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -1.0842   -2.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918   -1.4194   -2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    0.3274   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    4.0049   -2.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    3.1062   -3.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157    3.9637   -2.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    1.9864   -2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143    0.5619   -1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016    4.1350   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0510    5.0212    1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4666    3.6468    3.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993    1.3611    2.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4954    0.7515   -0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4277    0.6607   -1.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -1.6827   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3087   -1.1592   -1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070   -3.1375    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563   -2.6094   -0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -1.1401    1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4998   -0.9407    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9740   -0.5140   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362    2.3351    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    4.7720    2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    6.3741    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9645    5.5580    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614    1.7442   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788    2.7357   -2.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3145    0.4527   -0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6041    2.3222   -0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9370    0.7017   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3403    4.1022    0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9781    4.9092    2.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4879    3.3102    4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3910    0.8749    4.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6956    0.0492    2.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083    1.2944   -3.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8437    0.8768   -2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104   -0.3676   -3.7894 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 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  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 16 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 45 53  1  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 55  2  1  0
 10  6  1  0
 27 22  1  0
 33 28  1  0
 42 37  1  0
 52 47  1  0
  1 57  1  0
  1 58  1  0
  1 59  1  0
  2 60  1  0
  3 61  1  0
  7 62  1  0
  7 63  1  0
  8 64  1  0
  8 65  1  0
  9 66  1  0
  9 67  1  0
 10 68  1  0
 10 69  1  0
 11 70  1  0
 14 71  1  0
 14 72  1  0
 15 73  1  0
 15 74  1  0
 16 75  1  0
 20 76  1  0
 20 77  1  0
 20 78  1  0
 21 79  1  0
 21 80  1  0
 23 81  1  0
 24 82  1  0
 25 83  1  0
 26 84  1  0
 29 85  1  0
 29 86  1  0
 30 87  1  0
 30 88  1  0
 32 89  1  0
 32 90  1  0
 33 91  1  0
 33 92  1  0
 34 93  1  0
 38 94  1  0
 39 95  1  0
 40 96  1  0
 41 97  1  0
 44 98  1  0
 44 99  1  0
 45100  1  0
 46101  1  0
 46102  1  0
 48103  1  0
 49104  1  0
 50105  1  0
 51106  1  0
 52107  1  0
 54108  1  0
 54109  1  0
 54110  1  0
M  END
$$$$
