
     RDKit          3D

 96 99  0  0  0  0  0  0  0  0999 V2000
   -2.3979   -3.9744   -1.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863   -3.1120   -0.7727 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1727   -3.5606    0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -4.2760    0.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298   -3.3479    1.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020   -2.7804    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516   -1.3885    0.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019   -0.8161   -0.6604 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4730   -0.2481   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3362   -1.3010    0.3616 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9315   -2.1896   -0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3561   -0.7499    1.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053    0.2338    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4485   -0.2158   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3152    0.6944   -0.6536 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0642    2.0761   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    3.0322   -1.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.2783   -1.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1204    2.5670   -1.8954 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9218    2.5271    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0523    1.6130    0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797    0.2267   -1.4120 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5469    1.7207   -1.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -0.0842   -1.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549    0.8556   -0.4741 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977    1.2320    0.9176 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5001    0.3361    1.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    2.7110    1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976    3.5423    0.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754    1.1433   -0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6200    2.0409   -1.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6726    0.4502   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627    1.2299   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8864    0.6310    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0086    1.4484    0.9438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3718    1.0876    0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6639   -0.0885    0.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4037    2.0758    0.8105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6564    2.0198    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7692    1.3786   -1.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9914    1.3773   -1.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1012    2.0207   -1.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9894    2.6705   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7707    2.6775    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8719   -0.7502    0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8026   -1.5418    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193   -0.9579   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -1.7152   -0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3827   -4.0192   -1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -3.5675   -2.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033   -5.0166   -1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364   -3.2468   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761   -2.7018    1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922   -4.2662    0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108   -5.0229    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4961   -4.8731    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9991   -3.9477    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351   -2.5409    2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -3.3330    0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127   -2.9710   -0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3337   -1.5845   -1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9761    0.2224   -1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2797    0.5438    0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4349   -1.6094   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1496   -2.8183   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6669   -2.8888   -0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448   -0.2647    2.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9412   -1.5774    1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6740   -1.2741   -0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1763    0.3156   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7718    3.2101   -2.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7015    3.5861    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    1.9860    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892    0.0327   -2.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.0359   -0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    2.3479   -1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911    1.9341   -1.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317   -1.0831   -0.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2232   -0.1683   -2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788    1.0770    1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277    0.5810    2.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2581   -0.7214    1.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039    0.4676    1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379    2.9856    2.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    2.8753    1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1952    4.4647    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7292    2.3074   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8178    2.4539    1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2183    2.8937    1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9110    0.9119   -1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0776    0.8891   -2.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0471    2.0259   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8489    3.1762    0.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6971    3.1923    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6903   -1.2220    1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8391   -2.5972    0.5841 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 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
 17 19  1  0
 16 20  1  0
 20 21  2  0
  8 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 25 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 34 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48  2  1  0
 21 13  1  0
 47 32  1  0
 44 39  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  2 52  1  6
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  5 57  1  0
  5 58  1  0
  6 59  1  0
  6 60  1  0
  8 61  1  6
  9 62  1  0
  9 63  1  0
 11 64  1  0
 11 65  1  0
 11 66  1  0
 12 67  1  0
 12 68  1  0
 14 69  1  0
 15 70  1  0
 19 71  1  0
 20 72  1  0
 21 73  1  0
 22 74  1  6
 23 75  1  0
 23 76  1  0
 23 77  1  0
 24 78  1  0
 24 79  1  0
 26 80  1  6
 27 81  1  0
 27 82  1  0
 27 83  1  0
 28 84  1  0
 28 85  1  0
 29 86  1  0
 33 87  1  0
 35 88  1  0
 38 89  1  0
 40 90  1  0
 41 91  1  0
 42 92  1  0
 43 93  1  0
 44 94  1  0
 45 95  1  0
 46 96  1  0
M  END
$$$$
