
     RDKit          3D

 74 77  0  0  0  0  0  0  0  0999 V2000
   -4.8254    1.0062    2.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5106    0.6083    2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085    1.9070    1.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7184   -0.3599    3.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1952   -0.5517    2.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -1.6604    1.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121   -1.2201    0.4802 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -0.2719    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -0.8432    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033   -2.0155    0.5234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131   -0.0631   -0.3798 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1245   -0.7277   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1851    0.1909   -1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1785    1.5564   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3011    2.4985   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3439    2.7001   -2.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    3.7196   -2.7534 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7777    2.2288   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    1.3046   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -2.3485   -0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2664   -3.0129   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -4.1900    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6233   -4.8632    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7094   -4.3753   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710   -3.2637   -1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -2.5614   -1.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422   -1.4468   -2.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476   -0.2955   -2.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6767   -0.1576   -3.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0017    1.0542   -3.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3015    2.1444   -2.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775    2.0259   -1.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9438    0.8074   -1.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396    0.7577   -0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8845   -0.1203    0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4683    1.6282    2.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4038    0.1025    3.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6156    1.5893    3.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301    2.3353    2.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8407    1.7207    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3554    2.6739    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236   -1.3529    3.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973    0.0417    4.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.4044    2.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732   -0.8810    3.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4903   -2.5128    2.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017   -2.0385    2.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    0.6022    0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    0.1384   -0.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611   -1.0375    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327   -1.6372   -1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9573    0.3165   -2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1873   -0.2835   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4115    1.3495    0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1846    3.4886   -0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2828    2.0892   -0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    2.9838   -2.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590    1.7591   -2.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1553    3.3929   -2.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324    2.5739    0.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7793    3.1347   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    1.2624   -2.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    1.7642   -0.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6669   -2.0261   -1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   -3.1073   -0.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670   -4.5879    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7197   -5.7572    0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6627   -4.8859   -0.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4747   -0.9839   -3.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540    1.1525   -4.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7894    3.0892   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188    2.8895   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -0.9122    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8648   -0.6404    0.9821 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  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35  2  1  0
 19 11  1  0
 26 21  1  0
 33 28  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  5 44  1  0
  5 45  1  0
  6 46  1  0
  6 47  1  0
  8 48  1  0
  8 49  1  0
 12 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 16 57  1  0
 16 58  1  0
 17 59  1  0
 18 60  1  0
 18 61  1  0
 19 62  1  0
 19 63  1  0
 20 64  1  0
 20 65  1  0
 22 66  1  0
 23 67  1  0
 24 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 35 73  1  0
 35 74  1  0
M  END
$$$$
