LQ0045
     RDKit          3D

 77 84  0  0  1  0  0  0  0  0999 V2000
    7.5275    5.2276   -0.2918 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7920    4.0573   -0.4652 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.9225    5.6331    0.9805 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4278    3.2995    0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5620    4.8647    2.0863 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.4224   -1.8859   -2.3279 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.0323   -0.4793   -2.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7049    2.0830    0.4672 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.8109    3.7030    1.9172 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.1267   -2.3493   -1.2121 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.3604   -3.2749    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    0.8443    0.2997 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.0560    1.3292    1.1560 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2899   -0.6802    2.0674 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4260   -2.4978   -0.5592 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9291   -0.3566    0.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1416   -1.3104   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2922   -1.5445   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438    0.9974    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    0.1108    0.3658 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.9800    0.7895    0.0628 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.9425    0.6996    1.9967 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1910   -2.1007    1.4691 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0013   -1.1712    0.1659 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2736    0.2576    0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276   -0.8386    0.5954 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1053   -0.6010    0.9665 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4142    0.0370    0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7172    2.7101    2.4389 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.9503    1.4270    1.8722 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1931    3.9700    1.7621 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0859    1.3994    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0574    3.9624    0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9300   -1.0363    1.1474 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0724    6.5545    0.4073 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.8221    0.2724    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5378    2.6423    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5070    5.1160   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6265   -2.9265    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8821    0.3647   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5801    2.5649   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4524    4.9644   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6169   -0.9066   -0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9523   -3.2603    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7389   -4.3944    0.7459 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9774    3.7180   -1.3503 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.7669   -1.3024   -0.6632 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5611   -2.4497   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9438   -2.8173   -0.9589 C   0  0  2  0  0  0  0  0  0  0  0  0
  -15.5079   -4.3183   -0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9207   -2.7074   -2.4385 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.9037   -2.6294   -4.0014 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.5680    0.3052   -2.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3113   -4.0046    0.9147 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    0.1202    1.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1240   -2.0919   -0.2522 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.6875   -0.1144    0.1714 N   0  0  0  0  0  2  0  0  0  0  0  0
   16.4239   -0.2297   -0.7131 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5894   -3.4240   -0.4498 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.7152   -0.3259    0.2016 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.8013   -1.4081    0.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5758   -0.4088   -0.9943 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462    2.1436   -0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9435   -0.0258   -0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7550   -1.5479    1.3994 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112   -0.5019   -0.0535 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5728    1.0252    1.6136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8623    0.6308    1.8840 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.1714   -3.6774    2.0363 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0230   -1.7348    0.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2705    1.4552   -0.9877 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9659    6.0293   -1.6621 F   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8435   -5.0147    0.3863 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8298   -1.9604   -0.4561 O   0  0  0  0  0  1  0  0  0  0  0  0
  -16.4678   -4.8590   -1.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6170   -2.7640   -3.5429 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1008   -3.3769   -4.3892 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  8  1  0
  4  9  2  0
  5  9  1  0
  6  7  1  0
  6 10  1  0
  6 76  1  0
  7 53  2  0
  7 58  1  0
 10 17  1  0
 11 23  1  0
 11 54  2  0
 11 59  1  0
 12  8  1  0
 12 19  1  0
 12 60  1  0
 13 21  1  0
 13 22  1  0
 14 22  1  0
 14 23  1  0
 15 18  1  0
 15 59  1  0
 16 24  1  0
 16 55  2  0
 16 60  1  0
 17 58  1  0
 17 61  2  0
 18 56  1  0
 18 62  2  0
 19 57  1  0
 19 63  2  0
 20 25  1  0
 20 57  1  0
 21 58  1  0
 24 56  1  0
 25 66  1  0
 25 67  2  0
 26 65  1  0
 26 66  1  0
 27 28  1  0
 28 64  2  0
 28 68  1  0
 29 30  1  0
 29 31  1  0
 30 32  1  0
 30 68  1  0
 31 33  1  0
 32 36  2  0
 32 37  1  0
 33 37  2  0
 33 38  1  0
 34 36  1  0
 34 70  1  0
 35 38  1  0
 36 40  1  0
 37 41  1  0
 38 42  2  0
 39 44  1  0
 39 69  2  0
 39 70  1  0
 40 43  1  0
 40 71  2  0
 41 46  2  0
 41 71  1  0
 42 46  1  0
 42 72  1  0
 43 47  2  0
 43 70  1  0
 44 45  1  0
 44 48  2  0
 45 73  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  1  0
 49 74  1  1
 50 73  1  0
 50 75  2  0
 51 52  1  0
 65 27  1  0
 76 77  1  0
M  RAD  8   1   2   2   2   3   2   5   2   6   2   8   3   9   2  10   3
M  RAD  8  12   2  13   3  14   3  15   3  20   3  21   3  22   3  23   3
M  RAD  8  24   3  26   3  27   3  29   3  30   2  31   3  34   3  35   2
M  RAD  8  45   3  46   2  47   2  51   3  52   2  56   2  57   2  59   2
M  RAD  5  60   2  66   2  68   2  74   2  77   2
M  END
$$$$
