TJL0194
     RDKit          3D

113121  0  0  1  0  0  0  0  0999 V2000
    2.6814   -5.9373    8.7766 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.3365   -4.5784    8.6715 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.6539   -5.0691    7.8309 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.6938   -3.7985   -2.0618 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3757   -1.5530   -2.9280 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4636   -4.6368   -0.9525 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5073   -2.6628   -1.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468   -0.5920    2.6368 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6128    0.3569    3.6597 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.3018    1.2792    6.0918 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3124   -1.9138    0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864   -2.4156    7.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509   -4.5408    6.5205 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3898    1.2101    7.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2383   -0.0739    3.0074 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6981    0.9188    4.6756 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9079   -6.0685    1.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791   -0.9061    7.5147 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9701   -4.3477    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -5.6757    5.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6156   -2.3790    0.7186 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1000   -2.3821   -0.7439 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1735   -6.3875    3.0973 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8207   -3.2318    0.3658 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.0208   -0.3310    7.0532 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4996   -1.4330    2.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4701   -2.0249    1.7813 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6504   -7.7845    3.2353 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1386    0.6501    6.5849 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2973   -9.3392    3.4227 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1232    1.6872    6.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408  -10.9436    3.4764 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4502    5.2301    2.5188 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7299    3.4499    4.5026 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5493    3.8910    3.1277 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.4383  -12.7112    3.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689    5.0593    1.2233 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6320    3.5980    1.0970 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5143    2.7684   -0.0995 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4806    1.7165   -1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -0.3168   -2.1619 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9649   -1.3796   -3.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974   -2.6820   -3.9530 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9699   -3.0866   -4.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6550   -1.6618   -3.7494 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.3267   -1.2521   -2.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3250    0.0433   -0.4253 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1425    0.5596    0.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154   -2.5358    0.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789   -2.8682    8.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -0.0121    8.1245 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.8702   -6.9583    0.7495 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -5.5488    4.1704 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7484   -0.4686   -3.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3227   -1.0864    2.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1981   -3.1775    6.3133 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.4687   -4.8415    1.5027 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8465    2.1448    8.2623 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -6.5782    5.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6377   -1.6460    3.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    2.9263    5.9454 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3373    1.3590    6.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537    5.8572    2.3365 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.1490  -12.4578    3.3733 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.3613    5.8733    1.0871 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.4529  -11.6527    3.3823 N   0  0  0  0  0  1  0  0  0  0  0  0
    2.9942  -13.8413    3.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082    2.9788    2.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223    1.7529   -1.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    0.8553   -1.1543 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9684   -2.1987   -2.8387 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7355   -4.0526   -5.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.3712   -4.2482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0999   -2.3091   -4.9717 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6775   -0.4455   -1.6848 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8604    1.6131    0.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4706   -1.7468   -2.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2199   -0.1765    1.8153 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.5544   -3.1461    2.2179 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4650    8.2476   -3.7697 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0986    6.1849   -4.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312    0.3108   -4.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368    6.8844   -3.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6841    8.5311   -3.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1371    3.8972   -4.3201 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3878    6.1729   -3.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487    6.9406   -3.7293 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7419    1.3966   -5.7561 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.0603    4.0527   -4.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6352    2.6322   -4.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427    4.7692   -4.0527 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4862    6.5112   -2.5312 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9714    0.5032   -6.8398 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2164    1.5817   -5.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7555    2.6926   -4.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9834   -0.5404   -7.3112 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.2506    6.1402   -1.2124 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.2548    0.6118   -6.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225   -0.4983   -6.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1481    0.7903   -5.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789   -1.4562   -7.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.1393   -6.3275 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1257   -2.4607   -8.4955 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6380   -1.2775   -7.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3862   -0.0141   -5.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    6.8758   -4.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295    9.1430   -3.6511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    1.4404   -4.7223 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1485    4.8064   -3.9979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6653    9.2819   -3.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824    6.7781   -4.8652 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6692    1.8859   -5.2295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -1.9765   -7.7352 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4  6  2  0
  4  7  1  0
  5  7  1  0
  5 54  1  0
  6 19  1  0
  7 22  2  0
  8 15  1  0
  8 55  1  0
  9 15  1  0
  9 16  1  0
 10 14  1  0
 10 16  1  0
 11 21  1  0
 11 49  2  0
 11 55  1  0
 12 18  1  0
 12 50  2  0
 12 56  1  0
 13 20  1  0
 13 56  1  0
 13  3  1  0
 14 51  1  0
 14 58  2  0
 17 23  1  0
 17 52  2  0
 17 57  1  0
 18 25  1  0
 18 51  1  0
 19 24  2  0
 19 57  1  0
 20 53  1  0
 20 59  2  0
 21 27  1  0
 22 24  1  0
 23 53  1  0
 23 28  1  0
 25 29  1  0
 26 27  1  0
 26 55  1  0
 26 60  2  0
 27 79  1  0
 28 30  1  0
 29 31  1  0
 30 32  1  0
 31 61  1  0
 31 62  2  0
 32 64  1  0
 33 35  1  0
 33 37  1  0
 33 63  1  0
 34 61  1  0
 35 34  1  0
 35 68  1  0
 36 64  1  0
 36 66  1  0
 36 67  2  0
 37 38  1  0
 37 65  1  0
 38 68  1  0
 38 39  1  0
 39 40  1  0
 40 69  2  0
 40 70  1  0
 41 42  1  0
 41 70  1  0
 42 71  1  0
 42 73  2  0
 43 44  1  0
 43 71  1  0
 44 72  2  0
 44 74  1  0
 45 46  1  0
 45 74  1  0
 46 75  1  0
 46 77  2  0
 47 48  1  0
 47 75  1  0
 48 76  2  0
 48 78  1  0
 80 83  1  0
 80107  1  0
 81 83  1  0
 81106  2  0
 81109  1  0
 82105  2  0
 82108  1  0
 82 54  1  0
 83 86  2  0
 84 87  1  0
 84107  1  0
 84110  2  0
 85 90  1  0
 85109  1  0
 86 87  1  0
 86 91  1  0
 87111  1  6
 87 92  1  0
 88 93  1  0
 88 94  1  0
 88108  1  0
 89 91  2  0
 89 95  1  0
 89109  1  0
 90 94  2  0
 90 95  1  0
 92 97  1  0
 93 96  1  0
 94 98  1  0
 95112  2  0
 96 99  1  0
 98 99  2  0
 98100  1  0
 99101  1  0
100102  2  0
100112  1  0
101103  1  0
101104  2  0
102104  1  0
104113  1  0
M  RAD  8   1   2   2   2   3   2   4   2   5   3   6   2   8   3   9   3
M  RAD  8  10   3  13   2  15   3  16   3  18   2  21   3  22   2  23   2
M  RAD  8  24   2  25   3  27   2  28   3  29   3  30   3  32   3  33   2
M  RAD  8  34   3  35   2  37   2  38   2  39   3  41   3  43   3  45   3
M  RAD  8  47   3  51   2  53   2  56   2  57   2  61   2  63   2  64   2
M  RAD  8  65   2  66   3  70   2  71   2  74   2  75   2  78   2  79   2
M  RAD  8  80   3  85   3  88   2  91   2  92   3  93   3  96   3  97   2
M  RAD  4 102   2 103   2 108   2 111   2
M  END
$$$$
