SC0313
     RDKit          3D

112120  0  0  1  0  0  0  0  0999 V2000
    8.8913    3.8933    6.1123 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.8266    2.4008    6.0616 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.8829   -1.8853   -0.6601 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7644   -2.5951   -1.0998 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.8011    3.2406    5.1753 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7363   -0.9900    0.4155 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5288   -2.4016   -0.4802 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.4179    1.8474    3.3423 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5083   -0.7992    1.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3592   -1.5183    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4395    0.8446    2.6978 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3741    0.0548    2.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9841    4.8901    3.1920 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.1397    0.1070    2.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584   -0.5802    2.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    0.6300    3.9924 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9460   -0.3936    3.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987   -0.9570    3.2803 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1178    1.4359   -0.5458 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.6166    0.1413    1.4337 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3817   -1.7316    2.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2462    1.3859    0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8496    2.6470   -1.1808 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7359    0.1743    5.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -1.0037    4.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876   -4.6669    3.9460 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.3344   -0.4040    5.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5757    0.1593    2.0637 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5075   -1.7085    4.3218 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1186   -0.9859    1.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    3.1070    3.4292 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0561    3.4627    1.2876 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4423    4.9987   -1.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7328    3.8518   -0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445    2.5489    1.5892 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1974   -3.1564    4.1001 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0473   -0.9897    0.3074 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2273    3.5695    4.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4903    4.3944    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9513    2.8369    5.5442 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.0689    4.5187   -1.4531 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9144    3.7779    0.9535 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0192   -0.9708   -1.2403 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0154   -0.8513   -2.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628   -0.5853    6.5013 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7814   -2.0428   -3.1072 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3411   -1.6639    5.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4732   -3.3710   -3.8430 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.5357    3.4529   -2.1735 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0932    2.2667   -2.9689 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5861    1.0741   -3.8029 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0790   -0.1110   -4.6612 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.2124    2.7839    3.8898 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6409    3.7913    1.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3646    4.1403    2.9199 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5602    5.2626    3.3473 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421   -1.4286    1.1822 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660   -2.8271    3.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    0.2597    4.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0829   -1.0253    1.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    5.2920   -3.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567   -1.1081    3.2357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2090   -4.4896   -4.5121 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658    3.4264    5.7809 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.4900    5.0560   -0.3204 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.2529    0.4140    6.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7675   -4.1364   -5.7151 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2830   -3.7697   -7.1312 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4121    5.0479   -1.0110 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9797   -3.4757   -8.3969 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6265    2.6159    2.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7116   -1.1112    6.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700   -3.3420   -8.5460 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4588   -2.1754    5.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3701    4.0070    4.9036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919    4.5769    0.0929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695   -1.2313   -5.4648 N   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1709   -3.1024   -8.8826 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9089   -2.8446   -9.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -1.5192   -9.2272 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.8169   -6.9434   -0.9075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -5.1607   -0.5743 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2803   -7.1001   -1.9692 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039    1.3315   -8.8828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.3317   -5.3888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6195   -4.2173   -3.4394 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1481   -5.3253   -3.1437 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880   -5.9914   -3.0793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1718    0.0528   -5.5002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3681   -1.1323   -4.9355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1635   -4.8331   -5.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202   -6.5482   -0.9417 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6883   -4.7396   -1.4955 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1899   -0.6381   -4.6683 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5391   -5.4723   -2.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344   -5.8716   -1.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533   -6.6595   -2.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9660   -2.8772   -3.9436 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1263    1.1016   -6.4173 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1708   -1.5750   -4.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642   -4.8978   -2.8530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6729    0.0269   -9.1410 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3373    1.3888   -7.7223 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7762   -5.6496   -3.0616 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4462   -4.6362   -3.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9999    1.4975    2.6008 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5229    2.6560    3.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5264    2.3824    3.8926 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4092    2.0154    4.8762 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5190    1.6024    5.7695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3566    2.1940    5.5581 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1953   -8.6364   -2.9634 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  4  2  0
  3  6  1  0
  4  7  1  0
  5 53  1  0
  6  9  2  0
  7 10  2  0
  8 11  1  0
  8 53  1  0
  9 10  1  0
  9 12  1  0
 10 57  1  0
 11 12  1  0
 12 14  2  0
 13 55  1  0
 14 15  1  0
 14 16  1  0
 15 17  1  0
 15 57  2  0
 16 59  1  0
 17 18  2  0
 17 59  1  0
 18 25  1  0
 19 22  2  0
 19 23  1  0
 20 22  1  0
 20 60  1  0
 21 58  2  0
 21 60  1  0
 21 62  1  0
 22 35  1  0
 23 34  2  0
 24 27  1  0
 24 59  1  0
 24 66  2  0
 25 27  2  0
 25 29  1  0
 26 36  1  0
 27 45  1  0
 28106  1  0
 29 36  1  6
 29 47  1  0
 29 62  1  0
 30 28  1  0
 31 38  1  0
 31 71  1  0
 32 39  1  0
 32 71  1  0
 33 41  1  0
 33 61  2  0
 33 69  1  0
 34 42  1  0
 34 69  1  0
 35 42  2  0
 37 30  1  0
 38 64  1  0
 38 75  2  0
 39 65  1  0
 39 76  2  0
 40 64  1  0
 41 49  1  0
 41 65  1  0
 43 37  1  0
 44 43  1  0
 45 72  1  0
 46 44  1  0
 47 72  1  0
 47 74  2  0
 48 46  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 77  1  0
 53 55  1  0
 54 55  2  0
 55 56  2  0
 63 48  1  0
 67 63  1  0
 68 67  1  0
 70 68  1  0
 73 70  1  0
 78 73  1  0
 79 78  1  0
 80 79  1  0
 89 85  1  0
 90 89  2  0
 92 81  2  0
 93 82  1  0
 94 85  1  0
 95 82  1  0
 95 87  2  0
 96 92  1  0
 96 95  1  0
 97 81  1  0
 97 83  1  0
 97 88  2  0
 98 86  1  0
 99 85  1  0
100 90  1  0
100 94  2  0
100 98  1  0
101 87  1  0
101 93  2  0
102 80  1  0
102 84  1  0
103 84  1  0
103 99  1  0
104 88  1  0
104 96  2  0
105 86  1  0
105 91  2  0
105101  1  0
106107  1  0
107108  1  0
108109  1  0
109110  1  0
110111  1  0
111 40  1  0
112 83  1  0
M  RAD  8   1   2   2   2   3   2   4   2   5   2   6   2   7   2   8   3
M  RAD  8  11   3  13   2  16   3  18   2  19   2  20   3  23   2  26   2
M  RAD  8  28   3  31   3  32   3  35   2  36   3  37   3  40   3  41   2
M  RAD  8  42   2  43   3  45   3  46   3  48   3  49   3  50   3  51   3
M  RAD  8  52   3  64   2  65   2  67   3  68   3  69   2  73   3  77   3
M  RAD  8  78   3  80   3  86   2  92   2  93   2  94   2  98   3  99   3
M  RAD  8 102   3 103   3 104   2 106   3 108   3 109   3 111   3 112   2
M  END
$$$$
