TJL0291
     RDKit          3D

100108  0  0  1  0  0  0  0  0999 V2000
   -1.4179   -0.6559   -2.5171 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1444   -1.4074   -1.3674 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3741   -0.0491   -3.2236 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1539   -1.3875   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326   -0.1417   -2.7512 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4905   -2.1635    0.3237 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1913   -0.8037   -1.5582 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.7775    6.2974    0.2356 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5923   -2.2649    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0852   -2.0258    1.2695 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.9571   -2.9859    1.3937 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.3232   -1.7084   -0.2736 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.1402    0.1587   -1.0827 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.7962    4.0523   -0.4157 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6604    1.3106   -1.2015 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2198   -3.6115    2.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2829   -3.2610    1.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0531    8.2802    0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2029    0.0926   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7691   -1.6187   -0.2916 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7274   -2.2359    1.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4953   -3.3930    1.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6758    5.2983   -0.1294 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.1588    2.6878   -0.7337 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3426   -2.9827    1.7557 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8869   -2.8099    1.1344 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.4156    8.4273    1.5429 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.0448    6.2212    1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1845   -2.1013   -0.3232 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.9701    7.1521    1.5995 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.7826   -2.5800   -0.5579 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1532   -3.1202   -0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2558   -2.6352   -1.6420 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.6941   -3.0727   -0.7809 C   0  0  0  0  0  2  0  0  0  0  0  0
  -20.7176   -3.0690   -1.5511 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.1462   -3.4806   -1.0418 C   0  0  0  0  0  3  0  0  0  0  0  0
  -20.9985   -4.3800   -0.8336 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.8505   -5.2934   -0.5467 C   0  0  0  0  0  3  0  0  0  0  0  0
  -19.9984   -6.7456   -0.2190 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8720   -3.2548    1.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281   -4.3118    3.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3909   -4.2247    2.1275 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2913    9.2293    0.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3548   -0.6213   -1.1421 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7322   -2.7007    1.0919 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3817   -2.4172    1.0664 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.1126   -3.5618    2.3023 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.3705   -2.6815    0.8261 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.9027    6.9223    0.6768 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4116   -1.5731    0.5691 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.3945   -0.9232   -1.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4281    0.0307   -3.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6514   -1.9510    3.0936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753   -4.5423    1.8389 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2825    5.0350    0.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2517   -2.6240   -0.3517 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.0875   -3.9677   -1.8918 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.6667   -2.4896   -2.2093 O   0  0  0  0  0  1  0  0  0  0  0  0
  -18.5283   -4.7823   -0.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.1257   -4.5749   -0.2438 O   0  0  0  0  0  1  0  0  0  0  0  0
  -20.1180   -8.1636    0.0958 O   0  0  0  0  0  1  0  0  0  0  0  0
  -18.9347   -1.5976   -2.3163 O   0  0  0  0  0  1  0  0  0  0  0  0
  -17.1436    9.6919    2.0585 C   0  0  0  0  0  1  0  0  0  0  0  0
   17.9622   -1.6501   -2.6953 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.2032    0.2772   -2.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3171   -0.5512   -2.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5470   -2.9044   -0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4267    1.4231   -1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8306    1.4794   -0.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2464    1.6941   -1.9519 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.5988   -0.5070   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6417   -1.5007   -0.1920 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8166    2.0285    0.5581 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.7062    1.0442   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    2.5607   -1.8562 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.7300    0.3720   -0.0622 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.5968    3.4087   -1.3669 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7181    2.1804   -0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4342   -1.7451    1.2609 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.6530    2.9733   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6476    1.8033    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8915    4.5774   -0.9534 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.3183   -1.9582    2.7978 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.8389    4.9927    0.4891 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.5917    3.4229    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5559    2.9148    1.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6434    4.3985    1.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4681    3.2922    3.2459 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.6012    4.7749    2.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5011    4.1778    3.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0550    0.2631   -3.9488 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5247   -2.8026   -2.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1774    0.4613   -1.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3607   -3.9957   -0.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4226    1.0076   -1.8325 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8670    2.5472   -2.1116 N   0  0  0  0  0  2  0  0  0  0  0  0
   19.8639   -0.9822   -0.3622 O   0  0  0  0  0  1  0  0  0  0  0  0
   14.6049    2.1483    1.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5208    5.9800    3.4415 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4652    4.4538    5.0172 F   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 69  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 66  1  0
 64 92  1  0
 65 66  1  0
 65 91  2  0
 65 95  1  0
 66 71  2  0
 67 72  1  0
 67 92  1  0
 67 94  2  0
 68 69  1  0
 68 93  2  0
 68 96  1  0
 69 73  1  0
 69 75  1  0
 70 78  1  0
 70 95  1  0
 71 72  1  0
 71 76  1  0
 72 79  1  0
 72 97  1  1
 74 76  2  0
 74 81  1  0
 74 95  1  0
 77 80  1  0
 77 82  1  0
 77 96  1  0
 78 80  2  0
 78 81  1  0
 79 83  1  0
 80 85  1  0
 81 98  2  0
 82 84  1  0
 84 87  1  0
 85 86  2  0
 85 87  1  0
 86 88  1  0
 86 98  1  0
 87 89  2  0
 88 90  2  0
 89 90  1  0
 89 99  1  0
 90100  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  70   3  73   2  75   2  76   2  77   2  79   3
M  RAD  6  82   3  83   2  84   3  88   2  96   2  97   2
M  END
$$$$
