
     RDKit          3D

 93 96  0  0  0  0  0  0  0  0999 V2000
   -6.2809   -1.9501   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5046   -0.9279   -1.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1054   -1.4510   -1.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968   -2.5774   -0.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1332   -3.2793    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4984   -4.2467    1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351   -5.0162    1.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859   -4.8359    1.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7955   -3.8856    0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482   -3.0868   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2535   -2.1344   -1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420   -2.5228   -2.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361   -0.7685   -0.9002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2711   -0.3128    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413   -0.8534    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808   -1.6265   -0.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -0.4580    1.4930 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921   -1.0963    1.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3384   -0.5234    0.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7761    0.7978    0.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    1.3367    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3053    0.5621   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3933    1.1202   -1.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6961    0.5067   -1.4218 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.9692   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6717    0.5883    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0648   -0.4052   -0.8263 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0328    0.1264   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6884    0.8102   -2.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8664   -0.7585   -1.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8852   -1.2966   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1043   -0.6404    1.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1418    0.5211    2.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672    0.5153    3.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959    1.6594    2.3507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3437    1.5460    1.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936    0.9928    2.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384    2.8857    1.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    3.9342    1.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6469    3.0053    0.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914    1.9344   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9984    2.3167   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3323    3.5854   -1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5008    2.4627    1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0594    1.5953   -1.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895    2.4770   -2.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3762    0.3334   -2.5000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335   -2.1883   -3.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4306   -2.8872   -2.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2785   -1.5399   -2.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0911   -0.7699   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5459   -0.6434   -0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5892   -1.7337   -2.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5450   -4.4049    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386   -5.7585    2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396   -5.4405    1.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -3.7766    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9954   -0.0762   -1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700    0.7933    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079    0.3158    2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988   -2.1983    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -0.9131    2.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3615    1.4080    1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883    2.3543    0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4421    2.2311   -1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185    0.8894   -2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0851    2.0737   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5883    0.4891    0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8114    0.1912    1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3227    1.4901    0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1929   -0.7123   -2.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8759    0.8383   -2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303    0.4416   -3.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8423    1.9112   -2.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2898   -1.3727   -1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5584   -2.3174   -0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849   -1.5296    2.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404   -0.9216    1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7798    2.5047    2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3075    0.8567    0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236    0.0102    3.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3568    1.6910    3.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3103    0.8412    2.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6846    3.9483   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3744    1.0286    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5714    1.4785   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8821    4.4882   -0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4333    3.7301   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9775    3.4944   -2.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5793    2.7305    1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3906    1.5001    1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9343    3.2515    1.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2554    0.2748   -3.5382 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  2  0
 14 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 41 45  1  0
 45 46  2  0
 45 47  1  0
 47  2  1  0
 10  5  1  0
 31 19  1  0
 29 24  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
  2 51  1  0
  3 52  1  0
  3 53  1  0
  6 54  1  0
  7 55  1  0
  8 56  1  0
  9 57  1  0
 13 58  1  0
 14 59  1  0
 17 60  1  0
 18 61  1  0
 18 62  1  0
 20 63  1  0
 21 64  1  0
 23 65  1  0
 23 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  0
 26 70  1  0
 28 71  1  0
 28 72  1  0
 29 73  1  0
 29 74  1  0
 30 75  1  0
 31 76  1  0
 32 77  1  0
 32 78  1  0
 35 79  1  0
 36 80  1  0
 37 81  1  0
 37 82  1  0
 37 83  1  0
 40 84  1  0
 41 85  1  0
 42 86  1  0
 43 87  1  0
 43 88  1  0
 43 89  1  0
 44 90  1  0
 44 91  1  0
 44 92  1  0
 47 93  1  0
M  END
$$$$
