
     RDKit          3D

 78 81  0  0  0  0  0  0  0  0999 V2000
    8.4907    1.6510    1.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4297    2.5221    1.7046 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    3.2590    0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2344    1.5634    2.5436 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.1822    2.4730    3.1151 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8858    0.8336    3.6862 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    0.3866    1.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634   -0.8671    1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551   -1.8114    0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466   -1.5102   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -2.5599   -1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938   -3.4704   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993   -2.7598    0.2831 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3392   -2.5983   -0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930   -3.1598   -1.6735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8601   -1.8378   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535   -0.8971   -1.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5221    0.1648   -1.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    1.2173   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5400    1.7585    0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003    2.4282   -0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6675    3.1697   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4767    2.3131    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7015    1.0123    0.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2840   -0.0471    1.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9892    0.1713    2.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4963   -0.9084    3.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3008   -2.2114    2.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6288   -2.4385    1.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1323   -1.3661    0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4294   -1.6538   -0.4982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4758   -0.8896   -1.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5989   -0.1887   -1.9922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6822    0.5462   -3.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5992    0.5991   -4.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361   -0.1109   -3.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646   -0.8690   -2.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0968   -1.5863   -2.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -0.2543   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605    0.6898    0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1004    0.9483    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9480    1.0673    2.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2967    2.2670    0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3485    2.5689   -0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375    3.9081    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9932    3.9183    1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952   -1.1149    1.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236   -2.7792    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -2.0822   -1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -3.1815   -1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755   -3.8189    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -4.3765   -0.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881   -2.3763    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790   -1.2784    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303   -2.5689    0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416    0.6991   -2.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -0.2672   -1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    2.0657   -0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3926    0.7788    0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537    0.9282    0.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402    2.5029    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372    3.1631   -1.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    1.6681   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2762    4.0592    0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496    3.5378   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9146    2.2274    1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4488    2.8136    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1483    1.1724    2.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0384   -0.7346    4.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6848   -3.0462    3.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4934   -3.4510    1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5896    1.0933   -3.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6602    1.1929   -4.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892   -0.0583   -4.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024   -1.6627   -3.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -2.6318   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056   -0.0122   -0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7876    1.6513    0.9796 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  2  0
  4  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 10 39  1  0
 39 40  2  0
 40  7  1  0
 38 17  1  0
 30 25  1  0
 37 32  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  3 44  1  0
  3 45  1  0
  3 46  1  0
  8 47  1  0
  9 48  1  0
 11 49  1  0
 11 50  1  0
 12 51  1  0
 12 52  1  0
 13 53  1  0
 16 54  1  0
 16 55  1  0
 18 56  1  0
 18 57  1  0
 19 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 21 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 23 66  1  0
 23 67  1  0
 26 68  1  0
 27 69  1  0
 28 70  1  0
 29 71  1  0
 34 72  1  0
 35 73  1  0
 36 74  1  0
 38 75  1  0
 38 76  1  0
 39 77  1  0
 40 78  1  0
M  END
$$$$
