SQQ0003
     RDKit          3D

 77 84  0  0  1  0  0  0  0  0999 V2000
    2.8617   -6.6074   -0.1987 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5365   -7.0611    1.0686 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6962   -5.4985   -0.3927 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9646   -6.3471    2.1883 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1540   -4.8169    0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8111   -5.2431    2.0083 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.6963    0.1888    0.3338 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.9679    0.7428   -0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282   -3.5944    0.5662 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.3705   -1.1607    0.3958 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.9800    0.9119   -2.6003 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.4051    3.0520   -0.6984 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.0163    3.3748    1.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5373    1.2142    2.5763 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3672   -1.0504    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479   -2.2725    0.4137 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0663    0.4410   -0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779    0.6198   -1.8985 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2686    0.9966   -1.6192 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.5121   -1.4697   -0.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2609   -1.1813    0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5460    0.6948   -0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2165    0.0592   -2.2118 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3319    2.1393   -1.9470 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.1348    3.4592    0.6116 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.5103   -0.2301    2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7267   -0.9135    0.8457 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3987   -0.2109   -0.7817 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0293   -1.9408    0.1805 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2790   -1.9982    1.6626 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8449   -1.1682   -0.7074 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4680   -1.5256    2.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1839   -0.7578   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3631    0.4802   -2.0812 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6831   -1.5431    3.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4234   -0.9685    1.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2003   -0.1362   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9431    2.1946   -3.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8967   -1.0597    4.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3996    0.1685   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6634   -0.5420    1.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2704    0.8783   -1.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8561   -0.5965    3.2648 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.2246    2.8878   -2.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7797    4.0310   -3.3944 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4231    1.4761   -0.9921 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.0355    2.4804   -1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3996    3.1957   -1.5330 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.5928    4.6702   -2.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6324    3.3405   -0.0787 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2194    1.8851   -1.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1647    3.8270    1.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140   -0.2642   -0.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    1.4346   -0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1840   -0.6473    1.1171 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7781   -0.8526   -0.7424 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.1805   -0.2410   -1.3181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9700    1.3812   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5550    2.7037    2.8150 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.6914   -2.1343    0.7103 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1581   -0.1504   -1.6216 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1448    1.3367   -2.2665 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3563   -2.5930   -1.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2178   -0.3330   -1.5688 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.0507   -0.9113    3.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -0.9692    1.5938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6797   -2.1436    4.6743 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.3191    2.5314   -4.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5372    1.1775   -2.2580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1739   -0.9689    5.4516 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6655   -0.0283    1.1637 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7376    4.9446   -3.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9687    3.4296    1.4611 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.3593    2.4260   -2.0525 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.4252    5.5210   -1.8683 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5680   -2.2932    1.6500 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.2606   -1.8716    2.1128 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  2  0
  5  6  1  0
  5  9  1  0
  7  8  1  0
  7 10  1  0
  8 51  2  0
  8 57  1  0
 10 20  1  0
 10 76  1  0
 11 23  1  0
 11 24  1  0
 12 24  1  0
 12 25  1  0
 13 25  1  0
 13 52  2  0
 13 59  1  0
 14 26  1  0
 14 59  1  0
 15 27  1  0
 15 53  2  0
 15 60  1  0
 16 21  1  0
 16 60  1  0
 16  9  1  0
 17 28  1  0
 17 54  2  0
 17 61  1  0
 18 61  1  0
 18 62  1  0
 19 22  1  0
 19 62  1  0
 20 57  1  0
 20 63  2  0
 21 56  1  0
 21 66  2  0
 22 58  2  0
 22 64  1  0
 23 57  1  0
 26 55  1  0
 26 65  2  0
 27 55  1  0
 28 56  1  0
 29 30  1  0
 29 31  1  0
 30 32  1  0
 31 33  1  0
 31 64  1  0
 32 35  2  0
 32 36  1  0
 33 36  2  0
 33 37  1  0
 34 37  1  0
 34 69  1  0
 35 39  1  0
 35 67  1  0
 36 41  1  0
 37 40  2  0
 38 44  1  0
 38 68  2  0
 38 69  1  0
 39 43  2  0
 39 70  1  0
 40 42  1  0
 40 71  1  0
 41 43  1  0
 41 71  2  0
 42 46  2  0
 42 69  1  0
 44 45  1  0
 44 47  2  0
 45 72  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 74  1  6
 48 50  1  0
 49 72  1  0
 49 75  2  0
 50 73  1  0
 76 77  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   7   3   9   3  10   2
M  RAD  8  11   3  12   3  14   3  16   2  18   3  19   3  23   3  24   3
M  RAD  8  25   3  27   3  28   3  29   3  30   3  31   2  34   3  43   2
M  RAD  8  45   3  46   2  50   3  55   2  56   2  59   2  60   2  61   2
M  RAD  5  64   2  67   2  73   2  74   2  77   2
M  END
$$$$
