TJL0285
     RDKit          3D

100109  0  0  1  0  0  0  0  0999 V2000
   -0.7679   -1.9926   -3.3770 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.5791   -1.0793   -2.3522 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2313   -1.7223   -4.6331 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1074    0.0786   -2.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927   -0.5189   -4.8650 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2278    0.9844   -1.3986 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6167    0.3522   -3.8157 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.0636    0.2497    3.5908 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2747   -0.9664   -1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.9733   -2.8722 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4972    1.7023   -0.1419 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4073   -2.0638    0.6337 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1091   -1.4049   -1.1809 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.1187   -0.2112    4.0619 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4224   -0.7830    2.7980 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0042    3.2389   -1.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7729   -0.6745    2.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871   -0.7990    2.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079   -1.3196    2.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8510   -1.1178   -0.1562 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9804    2.0017   -2.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1160    1.1696    1.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6455   -0.0304    4.1406 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.7092   -0.3370    3.5156 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7976    2.2663   -2.1094 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6975   -0.0228    1.8617 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.1337   -0.3472    1.5916 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.7081    1.4967    2.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1513   -0.5897    0.1190 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.7464    1.0279    1.3540 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.4265    0.1177    0.5406 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2790    1.2538    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6694   -1.9730   -0.3136 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.2956    0.1679    0.0512 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1163   -2.2497   -0.7469 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.9936   -0.7412   -0.8470 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.6545   -1.2523   -1.7611 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.6669   -0.5698   -2.6856 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.8421   -0.2900   -4.1251 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3333   -1.7150   -1.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2379    4.4531   -1.3667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283   -0.5067    3.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8413   -1.8448    3.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9136   -1.0462    0.8668 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7315    1.4665   -2.9552 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3009   -0.0811    1.2571 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.1386    2.9145   -0.2615 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5358   -1.7206    2.0396 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.1591    0.3353    2.8002 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9390   -0.1333   -2.4165 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2322   -2.2703   -0.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5182   -2.0193    2.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2862    3.2149   -2.8883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4539    1.7823    2.2868 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8862    2.5842    2.8014 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167    1.2368    0.8407 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.7099    2.3357    1.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9184   -2.7198    0.1603 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.5189   -0.1189   -2.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9251   -1.1991   -2.0760 O   0  0  0  0  0  1  0  0  0  0  0  0
   14.8371   -0.0876   -5.5958 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.0052   -3.0642   -0.1419 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.6530   -0.3695    2.3274 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2782   -0.4334   -1.4321 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5630    0.1077   -1.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9978    1.3271   -1.0273 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.6016    2.8465    1.0112 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5383    2.4030    2.4652 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2054    1.9283    0.0437 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2839    1.2224    2.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719    1.3212    5.3137 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.3167    1.1776    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9858    1.2163   -1.3188 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.0824    0.6360    4.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1892    0.6694    1.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4341    0.8103   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2168    0.9136   -2.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7572   -0.5305    4.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2813   -0.1459    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1020   -0.3251    2.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2867   -0.3861   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8141   -0.9319    3.6774 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.4799   -0.0662   -2.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6037    0.0535   -3.1276 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.4154   -1.0308   -0.5973 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.5968   -0.9903   -1.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9091   -1.7330   -1.2205 C   0  0  2  0  0  0  0  0  0  0  0  0
  -18.1467   -1.0556   -1.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1930   -1.9181    0.2475 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.4627   -2.0852    1.7768 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.5960   -0.7892   -1.5491 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3399    1.1679   -0.7758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6998   -0.1131   -1.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3358    1.9704   -3.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1771    0.6115   -1.5659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6142   -1.1578    5.6790 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1502   -0.7526    1.6486 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8603   -0.2581   -3.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8149   -2.9688   -1.7797 O   0  0  0  0  0  1  0  0  0  0  0  0
  -19.3214   -1.1472   -1.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  6  1  0
  4  7  2  0
  5  7  1  0
  8 23  1  0
  8 49  1  0
  9 20  1  0
  9 40  2  0
  9 50  1  0
 10 21  1  0
 10 50  1  0
 11 22  1  0
 11 47  1  0
 11  6  1  0
 12 48  1  0
 12 51  1  0
 13 51  1  0
 13 64  1  0
 14 23  1  0
 14 24  1  0
 15 19  1  0
 15 24  1  0
 16 25  1  0
 16 41  2  0
 16 47  1  0
 17 26  1  0
 17 42  2  0
 17 48  1  0
 18 27  1  0
 18 43  2  0
 18 49  1  0
 19 44  1  0
 19 52  2  0
 20 29  1  0
 20 44  1  0
 21 45  1  0
 21 53  2  0
 22 46  1  0
 22 54  2  0
 25 45  1  0
 26 46  1  0
 27 30  1  0
 27 63  1  0
 28 30  1  0
 28 49  1  0
 28 55  2  0
 29 31  1  0
 31 32  1  0
 32 56  1  0
 32 57  2  0
 33 35  1  0
 33 36  1  0
 33 62  1  0
 34 56  1  0
 35 37  1  0
 35 58  1  0
 36 34  1  0
 36 59  1  0
 37 38  1  0
 37 60  1  0
 38 39  1  0
 38 59  1  0
 39 61  1  0
 64 65  1  0
 65 66  2  0
 65 91  1  0
 66 92  1  0
 67 68  1  0
 68 70  1  0
 69 67  1  0
 69 72  1  0
 69 92  1  0
 70 74  2  0
 70 75  1  0
 71 74  1  0
 72 75  2  0
 72 76  1  0
 73 76  1  0
 73 95  1  0
 74 78  1  0
 75 80  1  0
 76 79  2  0
 77 83  1  0
 77 94  2  0
 77 95  1  0
 78 82  2  0
 78 96  1  0
 79 81  1  0
 79 97  1  0
 80 82  1  0
 80 97  2  0
 81 85  2  0
 81 95  1  0
 83 84  1  0
 83 86  2  0
 84 98  1  0
 85 86  1  0
 86 87  1  0
 87 88  1  0
 87 99  1  6
 88 98  1  0
 88100  2  0
 89 87  1  0
 89 90  1  0
 91 93  2  0
 92 93  1  0
M  RAD  8   1   2   2   2   3   2   5   2   6   3   7   2   8   3  10   3
M  RAD  8  11   2  12   3  13   3  14   3  15   3  20   2  23   3  24   3
M  RAD  8  25   3  26   3  27   2  29   3  30   3  31   3  33   2  34   3
M  RAD  8  35   2  36   2  37   2  38   2  39   3  44   2  45   2  46   2
M  RAD  8  47   2  48   2  50   2  56   2  58   2  60   2  61   2  62   2
M  RAD  8  63   2  64   3  66   2  67   3  68   3  69   2  71   2  73   3
M  RAD  6  82   2  84   3  85   2  89   3  90   2  99   2
M  END
$$$$
