HMLIN0290
     RDKit          3D

 49 50  0  0  1  0  0  0  0  0999 V2000
   -6.2242    5.3187    1.7995 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0369    3.6663    1.0831 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4827    2.2290    0.1841 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9812    2.3370    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467    1.6002   -3.2601 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.9472    1.9110   -0.8021 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.7893    2.1581   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0858    2.4846    1.6563 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1504    1.6733    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7279    1.6725    0.3978 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2673    0.9012   -1.8443 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.6501    1.6846    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0341    1.8571    2.6691 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0379    0.3788   -0.4109 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5931    0.3578   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    0.1243   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928   -0.5519   -1.7030 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7026   -0.6883   -2.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   -2.1425   -1.3950 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0080   -1.7090   -0.3865 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.5230    0.5371    2.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7931   -0.2566   -0.4941 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1083   -0.9692   -0.5322 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1193   -1.3531   -1.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8737   -1.4464   -1.7885 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.6816   -0.5580    0.3803 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2873   -2.2968    0.0166 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4736   -3.7141    0.6811 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6579   -5.0910    1.4371 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3244   -7.3874    1.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7747    5.9905    0.6322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8338    5.5765    2.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6558    1.1967   -1.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1313    4.9726    2.8829 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.8286    2.0381   -0.6115 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9216    2.6361    0.1392 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.7041    2.7644    0.3286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634    1.3158   -0.5825 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9191    0.3235   -2.8312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -0.5456   -1.0805 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.1986    0.4913    1.0640 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735   -1.2630   -1.7756 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4615   -0.4073   -0.1773 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.3664   -2.6639   -1.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270   -0.3337    3.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -2.5852   -1.3979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8344   -6.3053    2.2763 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0357   -7.6361    0.2465 N   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9542   -8.2928    2.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 31  2  0
  1 32  2  0
  1 34  1  0
  2  4  1  0
  3  9  1  0
  3 37  1  0
  4  9  2  0
  4 10  1  0
  5 11  1  0
  6 11  1  0
  7 33  2  0
  7 36  1  0
  7 37  1  0
  8 12  1  0
  8 13  2  0
  9 14  1  0
 10 15  2  0
 12 35  2  0
 12 41  1  0
 13 21  1  0
 14 22  2  0
 15 22  1  0
 15 43  1  0
 16 23  1  0
 16 38  2  0
 16 43  1  0
 17 24  1  0
 17 42  1  0
 17 11  1  0
 18 25  1  0
 18 39  2  0
 18 42  1  0
 19 25  1  0
 19 44  1  0
 20 26  1  0
 20 44  1  0
 21 41  1  0
 21 45  2  0
 23 40  1  0
 23 27  1  0
 24 40  1  0
 24 46  2  0
 26 41  1  0
 27 28  1  0
 28 29  1  0
 29 47  1  0
 30 47  1  0
 30 48  1  0
 30 49  2  0
M  RAD  8   2   3   3   3   5   2   6   2   8   2  10   2  11   2  13   2
M  RAD  8  14   2  17   2  19   3  20   3  22   2  23   2  25   3  26   3
M  RAD  8  27   3  28   3  29   3  34   2  36   2  40   2  42   2  43   2
M  RAD  2  47   2  48   3
M  END
$$$$
