
     RDKit          3D

 90 92  0  0  0  0  0  0  0  0999 V2000
   -4.0763   -3.5812    1.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9014   -3.8267    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8876   -4.9192   -0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -2.5433   -0.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9737   -1.4901   -0.7521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6627   -2.0763   -1.1222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7731   -2.4063    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520   -3.4778   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613   -3.7634    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088   -2.8720    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914   -1.4809    1.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.3251    0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    0.8089    0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -0.4284   -0.8585 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0744   -0.9249   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8181   -0.0053    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5644   -0.0489    1.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2314    0.8215    2.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    1.7259    2.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4476    1.7615    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7762    0.9000   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200    0.8530   -1.5755 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    1.2646   -2.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    1.8723   -3.5777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.1181   -2.3067 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4933    1.0387   -3.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478    2.2466   -1.4973 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    3.6119   -1.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682    2.0400   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052    2.7166    0.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410    1.2208   -0.5916 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5735    2.1220   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1735    3.0376   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3257    2.6495    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8737    3.4882    1.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2809    4.7272    1.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8160    5.5706    2.8268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429    5.1245    1.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952    4.2888    0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8902    0.4459    0.5962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    0.7101    1.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264   -0.5522    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8509   -0.5962    1.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0015   -4.5394    2.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845   -2.9166    2.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0682   -3.1282    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843   -4.2303   -0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9368   -4.5809   -0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7357   -5.1645   -1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7243   -5.8501    0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0757   -2.0528   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2857   -2.8568   -1.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2523   -0.8296   -1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094   -2.9040   -1.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337   -1.4863    0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3427   -2.7684    0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809   -3.1774   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983   -4.4199   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5991   -4.8179    0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806   -3.6762    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9507   -2.9737   -0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -3.2458    1.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -1.3161    1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164   -1.1717   -1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6614   -1.0555   -1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0179   -1.9331   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468   -0.7516    2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0194    0.7944    3.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6883    2.3980    2.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1780    2.4604    0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    0.9421   -1.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6284    1.3690   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798    0.1613   -1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6231    1.9702   -4.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918    0.8946   -3.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    0.1812   -4.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    3.7643   -1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    3.7921   -2.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4999    4.3633   -1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    0.4864   -1.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865    2.7280   -1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    1.4875   -1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8074    1.7032    0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7601    3.1751    2.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6419    5.3148    3.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858    6.0843    1.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238    4.6199   -0.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973    1.7269    2.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2866    0.6036    1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -0.0205    2.6851 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  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 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  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 31 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 42  5  1  0
 21 16  1  0
 39 33  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  3 48  1  0
  3 49  1  0
  3 50  1  0
  4 51  1  0
  4 52  1  0
  5 53  1  6
  6 54  1  0
  7 55  1  0
  7 56  1  0
  8 57  1  0
  8 58  1  0
  9 59  1  0
  9 60  1  0
 10 61  1  0
 10 62  1  0
 11 63  1  0
 14 64  1  6
 15 65  1  0
 15 66  1  0
 17 67  1  0
 18 68  1  0
 19 69  1  0
 20 70  1  0
 21 71  1  0
 22 72  1  0
 25 73  1  1
 26 74  1  0
 26 75  1  0
 26 76  1  0
 28 77  1  0
 28 78  1  0
 28 79  1  0
 31 80  1  6
 32 81  1  0
 32 82  1  0
 34 83  1  0
 35 84  1  0
 37 85  1  0
 38 86  1  0
 39 87  1  0
 41 88  1  0
 41 89  1  0
 41 90  1  0
M  END
$$$$
