
     RDKit          3D

 75 78  0  0  0  0  0  0  0  0999 V2000
   -7.5949    4.1092   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1712    2.8561   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5692    1.8228   -0.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3164    0.7937   -0.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6146   -0.4495   -0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1406   -0.3257   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6963   -0.3933   -1.9676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359   -0.0653    0.2942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    1.3589    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    1.6536    1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879    1.1735    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.3767    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635    0.1376    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0757   -0.3011   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208    0.7065   -1.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2392    0.9486   -0.9216 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569   -0.2013   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    0.2272   -0.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3253   -0.2250    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6446    0.2037    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2098    1.0757   -0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    1.5092   -1.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567    1.0818   -1.7734 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1038    1.4110    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    0.4662    1.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2466   -1.0027    1.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -1.0046    2.7952 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5053   -1.9983    0.8887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291   -3.0669    1.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910   -3.8989    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -4.9897    1.3175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1300   -3.0975   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053   -2.0805   -0.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2132   -2.5434    0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482   -1.0713    1.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7040    1.0107   -2.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4004    2.5379   -2.3983 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7026    4.1872   -0.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2545    4.1025    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1511    4.9860   -0.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8106   -0.6142    0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0105   -1.3284   -1.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7715    1.6931    1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1474    1.9774   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    1.1861    2.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    2.7500    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628    0.1075    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    1.7238   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738    2.2714    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8218    1.6329    1.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094   -0.4419   -1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849   -1.2896   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0465    0.3344   -2.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    1.6703   -1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934   -1.0331   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0843   -0.6120   -2.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -0.8969    0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281   -0.1416    1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2326    1.4109   -0.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8627    2.1854   -2.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    2.4267    0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043    1.5303    0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278    0.9335    2.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8221   -0.4751    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483   -2.6804    2.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580   -3.7162    2.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219   -4.2837   -0.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -5.6440    1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6581   -3.8254   -0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -2.5187   -1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2491   -3.1756    1.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2116   -2.6684    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.9579    1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7907   -0.8751    2.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5696    0.3233   -3.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 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
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 13 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
  4 36  2  0
 36 37  1  0
 37  2  1  0
 35  8  1  0
 25 13  1  0
 23 18  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  5 41  1  0
  5 42  1  0
  9 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 17 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 25 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 31 68  1  0
 32 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 35 73  1  0
 35 74  1  0
 36 75  1  0
M  END
$$$$
