
     RDKit          3D

108112  0  0  0  0  0  0  0  0999 V2000
   -2.7112   -5.4990   -2.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2782   -4.9116   -1.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671   -6.0017   -0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -3.6797   -1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292   -2.3308   -1.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4365   -2.3038   -1.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8665   -2.1496   -3.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4051   -2.4568   -0.8776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6838   -3.1005   -1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1049   -2.1120    0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2180   -1.3155    1.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9699   -1.8944    1.9886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4709    0.0667    0.8450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0250    0.7585   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0050    1.9132   -0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9111    3.1348    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9906    4.1615   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370    5.2348    0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6301    5.3257    1.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5643    4.3201    2.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7089    3.2334    1.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    1.2564   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024    1.8797    1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254    2.4194    1.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    2.5466    2.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942    3.0832    3.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188    3.4964    2.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    3.4062    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988    2.8563    0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0522    2.8750   -0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6198    3.8154   -1.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114    1.8954   -1.3829 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2349    0.6721   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4565    1.0099    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406    1.9153   -0.3732 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630    0.2559    1.2172 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420    0.6236    2.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    0.5816    1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8882    1.7688    1.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    1.7426    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5712    0.5322   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    0.5257   -0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0840    0.3249   -0.1952 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4215    1.3410    0.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4981    0.7183    1.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3541   -0.7887    1.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2234   -0.9649    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8523   -0.6534    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6627   -0.6319    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215   -0.3764   -1.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446   -0.6314   -2.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623    0.1761   -3.8510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936   -1.8658   -2.9114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1812   -2.6298   -4.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3439   -4.7921   -2.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8299   -5.7694   -3.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3245   -6.4114   -2.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1871   -4.6416   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2432   -6.8753   -0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471   -6.3489   -0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847   -5.6071    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686   -3.9760   -1.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9109   -3.4620   -0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363   -1.5859   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3196   -3.2489   -0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2470   -2.4777   -1.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5040   -4.1013   -1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1695   -1.5392    0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9579   -3.0524    1.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1210    0.5592    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0664    0.0471   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8127    2.2220   -1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0468    1.5220   -0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3864    4.1196   -1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1118    6.0106    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5113    6.1633    2.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1733    4.3873    3.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4436    2.4707    1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727    0.4109   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3766    1.9668   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0555    2.2270    3.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947    3.1852    4.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773    3.9190    3.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    3.7759    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779    2.1277   -2.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5285    0.2223   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -0.5685    1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    1.6318    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571   -0.0820    2.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5115    2.7215    1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981    2.6714    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7040   -0.2653   -1.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8618    1.4832   -1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488    1.5900    1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8002    2.2586    0.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5076    1.0507    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534    1.0074    2.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1153   -1.2970    2.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3001   -1.2050    1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4688   -1.7638   -0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2990   -1.2294    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1954   -1.5930   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1086   -1.5537    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685   -1.3424   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5496   -0.0477   -2.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815   -3.5541   -4.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6080   -2.0161   -4.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349   -2.9131   -4.4271 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  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  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
 14 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 41 48  1  0
 48 49  2  0
 33 50  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  1  0
 53  5  1  0
 21 16  1  0
 29 24  1  0
 49 38  1  0
 47 43  1  0
  1 55  1  0
  1 56  1  0
  1 57  1  0
  2 58  1  0
  3 59  1  0
  3 60  1  0
  3 61  1  0
  4 62  1  0
  4 63  1  0
  5 64  1  0
  9 65  1  0
  9 66  1  0
  9 67  1  0
 10 68  1  0
 10 69  1  0
 13 70  1  0
 14 71  1  0
 15 72  1  0
 15 73  1  0
 17 74  1  0
 18 75  1  0
 19 76  1  0
 20 77  1  0
 21 78  1  0
 22 79  1  0
 22 80  1  0
 25 81  1  0
 26 82  1  0
 27 83  1  0
 28 84  1  0
 32 85  1  0
 33 86  1  0
 36 87  1  0
 37 88  1  0
 37 89  1  0
 39 90  1  0
 40 91  1  0
 42 92  1  0
 42 93  1  0
 44 94  1  0
 44 95  1  0
 45 96  1  0
 45 97  1  0
 46 98  1  0
 46 99  1  0
 47100  1  0
 47101  1  0
 48102  1  0
 49103  1  0
 50104  1  0
 50105  1  0
 54106  1  0
 54107  1  0
 54108  1  0
M  END
$$$$
