
     RDKit          3D

124126  0  0  0  0  0  0  0  0999 V2000
   11.8677    2.3628    1.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2009    1.2250    1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7059    1.3372    1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1461    2.4332    0.7304 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482    0.2215    1.3694 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304    0.1320    1.2009 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1774   -0.2105   -0.2832 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0324    1.0287   -1.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362   -1.0475   -0.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0089   -0.7048    0.4952 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8298   -1.4148    0.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9100   -0.6139   -0.5925 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9536    0.0571    0.4174 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2935    1.3587   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378   -0.8824    0.9363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322   -1.4384   -0.0021 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1126   -0.7521    0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2528   -1.5926   -0.0466 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1590   -1.0712   -1.2228 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3057   -1.9084   -1.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2373   -2.7505   -2.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6281    0.4293   -1.2571 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9694    0.8033   -2.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1810    0.5036   -3.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0827   -0.1398   -2.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4815    1.0747   -4.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0960    2.4588   -4.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948    1.4404   -0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1346    2.8420   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4056    3.7936   -1.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4486    3.0694   -0.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9570    4.3202    0.0825 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2659    4.7145    1.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4770    4.1814    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8075    2.8910    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0960    1.7765    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1385    0.4069    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7870    0.0994    2.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6903   -1.3271    2.6076 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8986   -2.0234    2.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4455   -2.1365    2.0947 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1467   -3.2644    3.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1892   -1.2355    1.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9277   -2.0100    1.3337 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9083   -2.1924    2.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1874   -0.9361    2.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7681    0.1340    3.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215   -1.4598   -1.4832 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0067   -2.5199   -2.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -1.5465   -1.6287 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6683   -1.2083   -3.0073 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488   -1.6996   -3.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377   -1.7333   -4.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4342   -1.1077    1.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723   -0.9672    2.1383 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2804   -0.6147    3.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022   -2.1836    1.8146 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6104    3.3445    1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    2.2342    1.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5410    2.3482    2.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584    1.2395   -0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    0.2546    1.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    1.0996    1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0313   -0.7963   -0.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0239    1.4831   -1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5978    0.7423   -2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3771    1.7941   -0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367    0.3962    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328    0.1917   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663    0.3713    1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416    2.1845   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    1.2934   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381    1.6197    0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0469   -2.4970    0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311   -2.5796   -0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4976   -1.1400   -2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428   -2.1554   -3.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1326   -3.4028   -2.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3417   -3.4054   -2.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5486    0.5566   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5421    1.1349   -5.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1748    0.4022   -5.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1108    2.3846   -3.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2102    2.9093   -5.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4593    3.1293   -3.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3956    1.2461    0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6517    1.3691   -1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7678    5.0990   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1949    4.9232    1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7290    5.6349    1.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322    3.8875    2.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9963    4.2230   -0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8766    5.0341    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6903    2.8692    2.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2214    1.8508   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3782   -0.3959    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5210    0.8692    2.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5967   -1.2359    3.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8863   -2.3192    1.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6902   -2.6116    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878   -2.8183    4.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0694   -3.8404    3.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883   -3.9846    2.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4686   -0.4933    1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9892   -0.6483    2.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2824   -3.0439    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300   -2.5986    3.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508   -2.9517    2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1337   -0.9967    3.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2675   -0.5351   -1.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104   -3.3667   -1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459   -2.6121   -1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066   -2.8079   -3.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407   -1.2387   -2.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4346   -1.4017   -4.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997   -2.8308   -4.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593   -1.2160   -4.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126   -1.5196   -5.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139   -2.1560    2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746   -0.4621    2.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711   -0.6871    3.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7600   -1.3162    4.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    0.4203    3.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3184   -2.8775    2.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 22 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 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  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  2  0
 16 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 51 52  1  0
 51 53  1  0
 10 54  1  0
 54 55  1  0
 55 56  1  0
 55 57  1  6
 55  6  1  0
 50 12  1  0
 44 18  1  0
  1 58  1  0
  1 59  1  0
  1 60  1  0
  2 61  1  0
  2 62  1  0
  6 63  1  1
  7 64  1  6
  8 65  1  0
  8 66  1  0
  8 67  1  0
 10 68  1  1
 12 69  1  6
 13 70  1  1
 14 71  1  0
 14 72  1  0
 14 73  1  0
 16 74  1  1
 18 75  1  6
 19 76  1  6
 21 77  1  0
 21 78  1  0
 21 79  1  0
 22 80  1  1
 26 81  1  0
 26 82  1  0
 27 83  1  0
 27 84  1  0
 27 85  1  0
 28 86  1  0
 28 87  1  0
 32 88  1  6
 33 89  1  0
 33 90  1  0
 33 91  1  0
 34 92  1  0
 34 93  1  0
 35 94  1  0
 36 95  1  0
 37 96  1  0
 38 97  1  0
 39 98  1  1
 40 99  1  0
 41100  1  6
 42101  1  0
 42102  1  0
 42103  1  0
 43104  1  0
 43105  1  0
 44106  1  6
 45107  1  0
 45108  1  0
 46109  1  0
 48110  1  6
 49111  1  0
 50112  1  1
 52113  1  0
 52114  1  0
 52115  1  0
 53116  1  0
 53117  1  0
 53118  1  0
 54119  1  0
 54120  1  0
 56121  1  0
 56122  1  0
 56123  1  0
 57124  1  0
M  END
$$$$
