
     RDKit          3D

 96100  0  0  0  0  0  0  0  0999 V2000
   -2.5137   -3.5629    2.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6807   -2.4949    1.6948 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0176   -3.0463    0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1627   -4.0120    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2783   -3.5430    1.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8344   -2.1202    1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772   -1.6959    0.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.4063   -0.1616 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3517   -0.5522   -1.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -1.6228   -0.8666 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -3.0031   -1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377   -1.3443   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515   -2.2848    0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708   -0.0152    0.2437 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2226    0.4714    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2096   -0.0260   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5262    0.4649   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8233    1.4517    0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8845    1.9442    1.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5686    1.4896    1.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4543    2.9077    2.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8394    3.0246    1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.0788    0.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    0.5768   -0.6433 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6779    1.9981   -0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653    0.6425    0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3433    0.9828   -0.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585    2.3080   -0.0828 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2823    2.9836   -1.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2094    2.2001    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5690    3.4590    1.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796    0.0173   -1.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843   -0.2170   -2.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2623   -0.6288   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2847   -0.6400   -1.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5156   -1.2562   -1.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5729   -1.2263   -2.4736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9392    0.2199   -3.3602 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.9470    0.3927   -4.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3213    0.1133   -3.9376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8836    1.5957   -2.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2481    1.5728   -0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0575    2.8079   -0.4590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3048    3.2573    0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5825    3.5453   -1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4627    2.8285   -2.6226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7209   -1.8763   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7146   -1.8696    0.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730   -1.2768    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613   -1.3255    1.3947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -3.1053    3.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2404   -4.0416    1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8484   -4.3535    2.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997   -2.1668    2.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -3.5760   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766   -2.2119   -0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -4.9809    1.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6242   -4.2257   -0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -4.2630    1.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234   -3.6372    2.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141   -2.1288    1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192   -1.4220    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084    0.0287    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9010    0.4024   -1.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907   -0.7836   -2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909   -3.6650   -0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -3.0823   -1.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074   -3.3526   -1.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1082    0.5965    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -0.7804   -1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824    0.0864   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8408    1.9045    1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4854    2.7688    2.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    4.0523    1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7654    0.2035   -1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621    2.0308   -1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    2.7045   -1.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251    2.3564    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    1.3686    1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -0.3108    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305    2.9713    0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    4.0361   -1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779    2.9925   -2.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0955    2.4454   -1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9789    1.5395    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0652    1.7472    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0888    3.9121    0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1191   -0.1665   -2.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3124   -1.9627   -2.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6204    0.7243   -0.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9793    4.1411    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3469    3.5379    1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7823    2.4481    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3225    4.5947   -1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6729   -2.3417   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9086   -2.3240    1.6553 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  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
  8 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  2  0
 38 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  2  0
 36 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50  2  1  0
 20 15  1  0
 49 34  1  0
 23 18  1  0
 46 41  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  1
  3 55  1  0
  3 56  1  0
  4 57  1  0
  4 58  1  0
  5 59  1  0
  5 60  1  0
  6 61  1  0
  6 62  1  0
  8 63  1  1
  9 64  1  0
  9 65  1  0
 11 66  1  0
 11 67  1  0
 11 68  1  0
 14 69  1  0
 16 70  1  0
 17 71  1  0
 20 72  1  0
 22 73  1  0
 22 74  1  0
 24 75  1  6
 25 76  1  0
 25 77  1  0
 25 78  1  0
 26 79  1  0
 26 80  1  0
 28 81  1  1
 29 82  1  0
 29 83  1  0
 29 84  1  0
 30 85  1  0
 30 86  1  0
 31 87  1  0
 35 88  1  0
 37 89  1  0
 42 90  1  0
 44 91  1  0
 44 92  1  0
 44 93  1  0
 45 94  1  0
 47 95  1  0
 48 96  1  0
M  END
$$$$
