
     RDKit          3D

 74 77  0  0  0  0  0  0  0  0999 V2000
   -6.2256    0.3368   -1.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2643   -0.6610   -0.9140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8916   -1.5946   -2.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5193   -2.2418   -1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318   -1.2356   -1.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5124   -0.0774   -1.9489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694   -1.5971   -0.6789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848   -2.9936   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -3.0985   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273   -2.1873    0.4239 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -0.8219    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245    0.0423    1.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    1.5448    1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    2.4464    1.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225    3.0254    0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7083    2.8503    0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    3.8422    1.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8220    3.6840    1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4691    2.5384    1.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7434    1.5368    0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3533    1.6737    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5791    0.6670   -0.3318 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0522   -0.6161   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -1.5587   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8201   -0.9317   -1.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002   -0.7462   -3.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544   -0.4262   -1.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8960    0.3739   -1.9808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -0.6003    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8340   -1.3796    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7409   -0.5260    1.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8918   -0.1514    2.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7640    0.6472    3.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4980    1.0630    3.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3734    0.6747    3.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -0.1046    1.9080 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5305    1.0318   -0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1311   -0.1547   -1.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7504    0.9577   -2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6630   -2.3884   -2.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228   -1.0581   -2.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6028   -2.9574   -0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -2.8240   -2.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -3.6404   -1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853   -3.3507    0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193   -4.1295   -0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285   -2.9535   -1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476   -0.3742    2.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -0.0711    1.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8942    1.8776    0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893    1.6848    1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635    1.8920    2.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9886    3.2933    2.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839    4.1063    0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321    2.5572   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    4.7353    1.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864    4.4533    2.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5360    2.4233    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2713    0.6571    0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925   -1.0493    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477   -0.5244   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955   -1.8735    0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273   -2.4865   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060   -1.2324   -3.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743   -1.1959   -3.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358    0.3384   -3.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540    0.4283   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491   -0.7149    1.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8849   -1.6925    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2606   -2.3051    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8726   -0.4734    1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6443    0.9437    3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3877    1.6822    4.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    0.9905    3.3229 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  2  0
  5  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  1  0
 13 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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 11 29  1  0
  2 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 29  7  1  0
 36 31  1  0
 27 11  1  0
 21 16  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 26 64  1  0
 26 65  1  0
 26 66  1  0
 29 67  1  0
 29 68  1  0
 30 69  1  0
 30 70  1  0
 32 71  1  0
 33 72  1  0
 34 73  1  0
 35 74  1  0
M  END
$$$$
