SQQLIN0009
     RDKit          3D

108111  0  0  1  0  0  0  0  0999 V2000
    0.7627   -6.9112   -3.4510 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2181   -7.8968   -2.2975 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3150   -8.2263   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426   -6.8250    0.4471 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2098    5.3313    1.1189 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.0117    2.9387   -1.2554 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3762   -0.2931    3.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0024   -2.2441    4.2332 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2879   -5.3880    3.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210   -5.4632    0.7808 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7131    1.9094   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3634    0.6910    2.0517 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9086   -1.3003   -0.3406 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9492   -2.7460    5.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1111    0.6051   -0.2806 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5657    2.4936   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -4.3903    4.2995 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5775    3.8288    1.6078 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9015   -4.6513   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7314   -2.9259   -0.2708 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4266    1.5153   -0.1826 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2913    3.4829    3.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086   -4.0176    4.8610 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6158   -4.2528    4.6013 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1315   -4.5613    4.0127 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4591   -5.1807    3.3832 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9991   -4.9089    0.5636 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0668   -7.9373   -1.1898 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0677   -9.8917   -2.3597 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.4483   -4.8014    1.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1679   -5.1506   -0.7319 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5766   -6.5080   -1.4241 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3787   -5.8597   -4.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137   -8.6355   -0.9911 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.7551    0.1248    4.3924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772   -9.0680    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -6.5724    3.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2217    1.9138    1.1377 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.5349   -4.1373    4.9678 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5497    2.2001   -0.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0771   -4.2066    0.2775 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.6304    4.2622   -2.0474 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.9875   -1.6311    3.2622 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1434    1.9659    3.2877 N   0  0  0  0  0  1  0  0  0  0  0  0
    0.3430   -4.9114    2.0564 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9393   -0.0092   -0.5871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6147    3.2221    1.0344 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.8984    1.5591   -0.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -2.1423    6.3634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6863   -4.6893   -1.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4720    4.2100    4.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8380   -5.6221    2.9436 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3173   -5.4684   -1.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -9.1581   -1.1460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2712   -3.8885    2.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3235    0.0536    3.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639    1.7890    2.0613 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7464    4.0129    3.0521 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6238   -1.1266    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -1.5529   -0.1884 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6063    4.6584    4.3235 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3686   -1.9469   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -4.2801   -5.1692 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4077    0.4316    2.1903 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8852    2.7081    3.2237 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5465    3.6848    4.0020 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8059   -3.3795   -5.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5791    2.8900    2.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312    4.8394    4.0440 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0996   -2.3120   -3.5499 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.7367    0.2821    3.4568 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3933   -2.3152   -1.2808 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.5886   -1.6070   -1.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5350   -2.5067   -5.0794 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.5695   -0.2754    0.9417 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.3991    0.1677    4.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528   -1.8986    1.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104   -3.6312   -7.0598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872   -5.1471   -4.5828 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6631    4.4885   -2.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316    5.0119   -1.4626 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3252    3.2456   -5.4163 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5544    3.9335   -4.0763 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8162    3.4753   -3.9949 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8938    4.5924   -2.7118 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.9276    2.6665   -6.2103 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8759    6.1825   -4.0606 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.2254    3.5421   -6.4320 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5072    2.5961   -4.7296 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0578    4.6078   -4.3599 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5621    6.7481   -3.5617 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1596    7.7548   -2.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8033    9.0107   -2.0739 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.5125    5.6761   -3.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407    5.8374   -0.2443 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.8369    2.0460   -5.6017 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.4676    2.9967   -3.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997    5.8760   -3.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    2.7358   -4.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    3.8690   -7.6627 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4500    4.4679   -5.5493 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8853    6.9240   -3.4742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8440    7.9398   -2.9098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891    1.8408   -7.1311 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6445   -0.0430    4.7766 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7412   -0.2274    5.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8237    0.6783    6.7830 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6008   -1.1984    5.7676 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 33  1  0
  2 34  1  0
  3  4  1  0
  3 34  1  0
  3 36  2  0
  6 11  1  0
  6 42  1  0
  7 12  1  0
  7 35  2  0
  7 43  1  0
  8 14  1  0
  8 43  1  0
  9 17  1  0
  9 37  2  0
  9 45  1  0
 10 19  1  0
 10 45  1  0
 10  4  1  0
 11 38  1  0
 11 48  2  0
 12 38  1  0
 13 20  1  0
 13 46  1  0
 14 39  1  0
 14 49  2  0
 15 21  1  0
 15 46  1  0
 16 21  1  0
 16 40  2  0
 16 47  1  0
 17 39  1  0
 17 23  1  0
 18 22  1  0
 18 47  1  0
 18  5  1  0
 19 41  1  0
 19 50  2  0
 20 41  1  0
 22 44  1  0
 22 51  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 52  1  0
 27 30  1  0
 27 31  1  0
 28 32  1  0
 28 54  1  0
 29 54  1  0
 30 52  1  0
 30 55  2  0
 31 53  1  0
 32 53  1  0
 56 64  1  0
 56 71  1  0
 56 76  2  0
 58 68  2  0
 59 60  1  0
 59 75  1  0
 59 77  2  0
 60 72  1  0
 61 66  1  0
 62 70  1  0
 62 72  1  0
 62 73  2  0
 63 79  1  0
 64 75  1  0
 64 57  1  0
 66 65  2  0
 67 63  1  0
 67 74  1  0
 67 78  2  0
 68 57  1  0
 68 65  1  0
 69 58  1  0
 69 61  2  0
 70 74  1  0
 71105  1  0
 79 33  1  0
 80 84  1  0
 80 94  2  0
 80 42  1  0
 81 85  1  0
 81 95  1  0
 82 84  1  0
 82 96  1  0
 82 88  1  0
 83 85  1  0
 83 90  1  0
 83 99  1  0
 84 97  1  0
 85 98  1  0
 86104  1  0
 87 90  1  0
 87102  1  0
 88100  1  0
 88 86  1  0
 89 97  1  0
 89 99  1  0
 89 86  1  0
 90101  1  0
 91 87  1  0
 91 98  1  0
 91103  1  0
 92 93  1  0
 92102  2  0
 92103  1  0
105106  1  0
106107  1  0
106108  2  0
M  RAD  8   1   3   2   3   4   3   5   2   6   3   8   3  10   2  12   3
M  RAD  8  13   3  15   3  17   2  18   2  20   3  21   3  23   3  24   3
M  RAD  8  25   3  26   3  27   3  28   3  29   2  31   3  32   3  34   2
M  RAD  8  38   2  39   2  41   2  42   2  43   2  44   3  45   2  47   2
M  RAD  8  52   2  57   3  58   2  60   3  61   2  63   3  64   2  65   2
M  RAD  8  66   2  69   2  70   3  71   2  72   2  74   2  75   2  79   3
M  RAD  8  81   3  82   2  83   2  84   2  85   2  86   2  87   2  88   2
M  RAD  8  89   2  90   2  91   2  93   2  95   2  96   2 100   2 101   2
M  RAD  3 104   2 105   3 107   2
M  END
$$$$
