
     RDKit          3D

 87 91  0  0  0  0  0  0  0  0999 V2000
    4.7543    1.3426   -1.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686    0.3342   -0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -0.6671   -1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1849   -0.3543   -0.4942 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6218    0.9058   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    1.0600   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    0.9625    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355    1.1338    1.4193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    2.2218    1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586    3.3553    0.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6301    1.9765    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5043    3.2195    0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8592    3.0875    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9916    2.7676    1.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2326    2.5776    0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3450    2.7105   -0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2257    3.0462   -1.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9871    3.2365   -1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1236    0.8194    1.4500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0720   -0.1414    0.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1945   -0.2065    1.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6875   -1.2338   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7979   -2.2925    0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854   -1.8054    1.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3728   -1.7273    0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -1.7253    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890   -0.3546    1.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1566   -0.3785    0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9843   -1.9459   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7306   -2.9111   -1.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3878   -2.8818   -2.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0245   -1.5639   -2.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0170   -0.6233   -1.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3446    0.1454    0.5107 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3360    1.1158    0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6455    0.4192    1.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0459   -0.4164    0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2822   -1.0654    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3178   -0.8710    1.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5530   -1.5025    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7575   -2.3453   -0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7218   -2.5632   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4920   -1.9273   -0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8291   -1.6795   -0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -0.7215   -2.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076    1.7863   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    0.8949   -2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2104    2.0493   -0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4562    0.2797   -1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6287    1.8102    1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6946    0.5070    2.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6611    1.7896   -0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0180    4.1219    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6047    3.3806    2.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9094    2.6367    2.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1060    2.3045    1.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2988    2.5434   -1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3236    3.1656   -2.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1272    3.4884   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1190    0.9485    2.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3877   -2.6857    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -3.1712    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3997   -1.7358    2.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -1.9393   -0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   -2.2848    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -2.3628    2.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -0.2822    2.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -1.3028    1.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    0.4995    1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7122   -1.1747   -0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4709   -2.5061    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9561   -3.9553   -1.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4379   -2.6835   -2.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0058   -1.5848   -2.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7066   -1.1691   -3.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9813   -0.2886   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6061    0.2709   -1.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1489   -0.6916    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5345    1.8878    0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9418    1.6321    1.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4138    1.1959    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5137   -0.2025    2.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1843   -0.2283    1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3536   -1.3338    1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7130   -2.8325   -0.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8843   -3.2141   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6956   -2.0959   -1.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  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  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 22 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
  2 34  1  0
 34 35  1  0
 35 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  2  0
 28  4  1  0
 43 38  1  0
 27  7  1  0
 18 13  1  0
 33 22  1  0
  3 44  1  0
  3 45  1  0
  5 46  1  0
  5 47  1  0
  6 48  1  0
  6 49  1  0
  7 50  1  0
  8 51  1  0
 11 52  1  0
 12 53  1  0
 12 54  1  0
 14 55  1  0
 15 56  1  0
 16 57  1  0
 17 58  1  0
 18 59  1  0
 19 60  1  0
 23 61  1  0
 23 62  1  0
 24 63  1  0
 25 64  1  0
 26 65  1  0
 26 66  1  0
 27 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 32 74  1  0
 32 75  1  0
 33 76  1  0
 33 77  1  0
 34 78  1  0
 35 79  1  0
 35 80  1  0
 36 81  1  0
 36 82  1  0
 39 83  1  0
 40 84  1  0
 41 85  1  0
 42 86  1  0
 43 87  1  0
M  END
$$$$
