
     RDKit          3D

 81 84  0  0  0  0  0  0  0  0999 V2000
   -7.5030   -0.0747   -0.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5306    0.6668   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3678    0.0641   -1.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1563   -0.0055   -0.2921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -0.9792    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4294   -2.4258    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3007   -3.2439    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4466   -4.5719   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7231   -5.1078   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540   -4.3207   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7103   -2.9902    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9386   -0.1912   -1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674    0.0449   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.8787   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5648   -0.6951    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811   -1.7026    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -1.2644   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731   -2.2448   -0.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399   -3.4768   -0.7500 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2254   -1.8054   -1.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3396   -2.6390   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578   -1.8493   -0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4032   -0.4138   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    0.3325    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5964    1.6237    0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9474    2.6108    0.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417    0.3487   -1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290   -0.5803   -1.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    0.4514    1.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3107    1.4056    1.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932    1.2235    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5237    2.1735    0.4419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557    3.5822    0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1779    4.0846    1.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539    3.6470    1.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4282    4.1686    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6574    3.0769   -0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5721    2.0529   -0.0203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -0.9383   -1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1862    0.6983   -2.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862   -0.8891    1.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1292   -0.6948    1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075   -2.8591    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699   -5.1855   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8357   -6.1366   -0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8440   -4.7418   -0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5993   -2.4037    0.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9411   -1.1965   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    0.5488   -1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127   -1.7503   -1.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619   -1.8110    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -2.6966   -0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199   -0.2693   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2593   -1.1683   -1.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162   -2.9942    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4518   -3.5266   -1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3693   -2.3774    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1076   -1.8172   -1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9078   -0.5045    0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    0.5540   -0.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401   -0.3287    0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6131    1.9836    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308    1.4229    1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9147    3.4180    0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162    0.9742   -1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8074    1.0339   -0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142   -0.0354   -2.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0508   -0.8675   -2.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6126    0.6108    1.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    2.2699    1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946    4.0883   -0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935    3.8658    0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7143    3.7020    2.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236    5.1951    1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7216    2.5401    1.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1400    4.0544    2.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005    5.0291    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4184    4.5570    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1057    3.5362   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6866    2.6355   -0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4215    2.3777    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 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  1  0
 23 27  1  0
 27 28  1  0
 15 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38  2  1  0
 11  6  1  0
 31 13  1  0
 28 20  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  7 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 14 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 21 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 24 61  1  0
 25 62  1  0
 25 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 28 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 33 71  1  0
 33 72  1  0
 34 73  1  0
 34 74  1  0
 35 75  1  0
 35 76  1  0
 36 77  1  0
 36 78  1  0
 37 79  1  0
 37 80  1  0
 38 81  1  0
M  END
$$$$
