LQLIN00011
     RDKit          3D

 97102  0  0  1  0  0  0  0  0999 V2000
   -9.4654    2.4582    3.5968 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.4076    0.8826    3.3278 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.0548    0.3241    2.0281 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.7463    0.4876    1.6263 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0548   -0.5767    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6780   -0.1802    0.6730 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9208   -0.8742   -0.2322 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4484   -1.7496   -1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5747   -1.2901   -1.8765 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8543   -0.8243   -2.5976 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1778   -0.2616   -3.0832 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4474    0.5803   -3.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2428    1.4799   -3.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9304    2.6840   -2.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8317    2.8613   -1.8569 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.3837    4.0940   -1.6046 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8498    5.1224   -2.2478 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.9620    5.0867   -3.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5313    3.8322   -3.5303 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8999   -2.8091   -1.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969    0.8248    1.3482 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9327    2.1554    1.7737 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4776    2.4903    0.1624 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1482    2.4809   -1.3365 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8614    2.3188   -2.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300    0.9944   -2.8049 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5548   -0.5296   -2.8564 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2490   -1.8240   -2.8007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341   -2.0579   -1.5566 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4927   -2.0132   -0.0281 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1159   -1.7089    1.2122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237   -0.4310    1.1385 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3674    0.9976    0.7137 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2804    2.1382    0.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    1.7177   -1.1247 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9579    1.0278   -2.3094 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7829    0.3222   -3.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7400   -0.0248   -2.2225 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6195   -0.3129   -0.9590 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2211   -0.5024    0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717    0.4121    0.3028 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2420    1.5138    0.3491 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1638    2.4884    0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1293    2.0685   -0.5427 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1902    1.5498   -1.5197 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.1049    1.1355   -2.3763 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2757    1.3194   -1.7913 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.6083    1.4746   -1.0345 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.8027    1.3459   -0.1809 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6425    0.2928   -0.8409 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.1112    0.3287   -1.3555 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.0496    1.4136   -1.1248 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.2380    2.5635   -0.7531 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.7428    2.5058   -0.3265 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.1994    1.0800   -0.3490 C   0  0  0  0  0  2  0  0  0  0  0  0
   19.0188    0.3942    0.6897 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5877    0.2360    1.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7603    1.1728    2.6901 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.9572    2.3238    3.3409 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.2146    3.4911    3.9821 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.7303    4.7923    4.6545 C   0  0  0  0  0  1  0  0  0  0  0  0
   19.0989   -0.8626    2.5308 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8905   -1.4251    1.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8990   -0.6198    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7666   -0.9965   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0017   -0.1534   -2.2142 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.5184   -2.1525   -0.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3137   -2.3411   -1.8152 C   0  0  0  0  0  3  0  0  0  0  0  0
   22.1183   -1.3427   -2.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9266   -1.2631   -4.0520 C   0  0  0  0  0  1  0  0  0  0  0  0
   21.4491   -2.9523    0.4547 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6583   -2.6036    1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6559   -3.4989    2.6775 N   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3405   -1.7772    1.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2362    0.1495    1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4348    0.2682    1.6492 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5838   -0.2914    1.1925 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.7993    0.3282    1.6925 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.2104    0.9415    2.0838 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.6512    1.4920    2.4183 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.0546    1.9494    2.6208 N   0  0  0  0  0  2  0  0  0  0  0  0
  -18.9363    1.2282    1.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5557    0.5607    0.6863 N   0  0  0  0  0  1  0  0  0  0  0  0
  -20.1297    1.0528    2.2256 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8190   -1.3823    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2625   -2.5874    0.4042 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.1066   -3.6485    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3478   -3.5486    1.3071 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.0813   -4.6789    1.7067 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.6576   -5.9413    1.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4251   -7.1068    1.7306 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.1668   -8.2604    2.1204 O   0  0  0  0  0  1  0  0  0  0  0  0
  -13.4583   -6.0750    0.6489 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.6965   -4.9468    0.3170 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5722   -1.1079   -0.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0158    0.1314   -0.1801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0115    0.1688    4.7023 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2 97  1  0
  3  2  1  0
  3  4  1  0
  3 75  1  0
  4  5  1  0
  5  6  1  0
  5 74  2  0
  6  7  1  0
  6 21  1  0
  7  8  1  0
  8  9  1  0
  8 20  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  3  0
 13 14  1  0
 14 15  2  0
 14 19  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 54  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 52 55  1  0
 53 54  1  0
 55 56  1  0
 56 57  1  0
 56 64  1  0
 57 58  1  0
 57 62  2  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 62 63  1  0
 63 64  2  0
 63 72  1  0
 64 65  1  0
 65 66  1  0
 65 67  2  0
 66 69  1  0
 67 68  1  0
 67 71  1  0
 68 69  2  0
 69 70  1  0
 71 72  2  0
 72 73  1  0
 75 76  1  0
 75 96  2  0
 77 76  1  0
 77 78  1  0
 77 85  1  0
 78 79  1  0
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 82 84  2  0
 85 86  1  0
 85 95  2  0
 86 87  1  0
 87 88  2  0
 87 94  1  0
 88 89  1  0
 89 90  2  0
 90 91  1  0
 90 93  1  0
 91 92  1  0
 93 94  2  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   7   2   9   3  10   3
M  RAD  8  11   3  15   2  17   2  19   2  21   3  23   3  24   3  26   3
M  RAD  8  27   3  29   3  30   3  32   3  33   3  35   3  36   3  38   3
M  RAD  8  39   3  41   3  42   3  44   3  45   3  47   3  48   3  50   3
M  RAD  8  51   3  52   2  53   3  54   3  55   3  58   3  59   3  60   3
M  RAD  8  61   2  68   2  70   2  73   3  76   2  77   2  78   3  79   3
M  RAD  8  80   3  81   2  83   3  86   2  88   2  89   2  91   3  92   2
M  RAD  3  93   2  94   2  97   2
M  END
$$$$
