TJL0211
     RDKit          3D

104113  0  0  1  0  0  0  0  0999 V2000
    2.6531    3.6059   -0.8470 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0032    1.1431   -1.4173 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.6193    1.6889   -0.6199 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2963    0.1808    0.2964 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2209   -0.5674   -0.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326    2.1600   -0.2082 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4560    2.4597   -0.4758 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1735    1.0722    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164    1.7514    1.1124 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.7949    2.6580    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6280    1.3112    1.7519 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.4675    6.9427    0.4605 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.5299    4.0752    0.5812 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.9771    2.5028    0.1416 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0025    1.0556    2.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8147    3.3432    1.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5603    9.1302    0.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5281    2.5814    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422    1.6696    2.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7231    2.2079    1.9514 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.2321    5.4366    0.5907 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3903    3.0472    0.3704 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5224    1.0643    1.4997 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4127    2.0707    1.8645 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.6353   10.3978    0.3398 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1229    8.9933   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6372    0.1298    1.7776 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2338    0.8394    2.0797 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.5162   10.3763   -0.7452 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.1392   -0.7565    1.8304 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9895   -0.5459    2.2402 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.6185   -1.2054    1.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8176   -1.8691    2.3505 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8513   -3.5191    1.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044   -3.3367    1.9444 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.2016   -4.5595    2.7545 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.7849   -4.5388    0.8992 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.3363   -5.3278    2.1327 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.3448   -4.6024    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5853   -5.4484   -1.7706 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.3620   -6.7538   -3.6443 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.0614   -5.6342   -1.6114 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.2815   -7.3766   -4.9749 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.5072   -6.5881   -2.7119 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6468    0.5665   -1.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405    1.0123    3.3171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468    4.2717    2.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2385   -0.8079    0.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8548    9.0072    1.9463 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8837    2.3734    1.2127 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.6172    2.5289    1.8683 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.4056    8.2794    0.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863    1.1727    1.0883 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5832    3.2786    0.7329 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.0762    3.1799   -0.9306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.9283    3.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0855    8.6920   -1.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444   -4.6404    0.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9771   -2.3538    2.3533 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.3493   -0.3244    1.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902   -3.1399    2.3377 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4793   -2.5800    0.1405 N   0  0  0  0  0  1  0  0  0  0  0  0
   11.8047   -4.7286    3.9712 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.0151   -3.2686    0.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4202   -5.0748   -1.0152 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.3026   -6.6129    2.1120 O   0  0  0  0  0  1  0  0  0  0  0  0
   16.2553   -6.0191   -3.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2717   -4.2534    1.0371 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8486   -4.6453   -1.4017 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.2243   -7.9055   -6.3464 O   0  0  0  0  0  1  0  0  0  0  0  0
   19.3410   -7.5361   -2.5192 O   0  0  0  0  0  1  0  0  0  0  0  0
   12.1279   11.1853   -2.0074 C   0  0  0  0  0  1  0  0  0  0  0  0
  -16.9374   -3.0305    2.8968 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.6608   -2.7493    1.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0568   -2.2889    2.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9713   -2.1016    2.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8620   -1.9991    0.0657 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.6824   -1.2172    1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1420   -0.9488    1.9043 C   0  0  1  0  0  0  0  0  0  0  0  0
  -14.6247   -0.7371    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6432   -1.7409   -2.2380 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.9124   -0.7473    0.6450 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.7179   -1.0547   -0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8283   -0.5468    0.6661 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.1177   -1.7078   -3.5612 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.8705   -0.9070   -2.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8369   -0.2258   -0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7363   -0.6516   -0.7086 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.5209   -0.6754   -4.5742 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.2266    0.1028   -3.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5406    0.2911   -4.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3756    0.9082   -2.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8705    1.3231   -5.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6583    1.9504   -3.6293 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.2734    1.4764   -6.5957 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.9306    2.1554   -4.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2153   -3.8225    2.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2119   -3.1420    3.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2126   -2.1423    2.7940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7258   -1.7438   -1.2456 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.9997   -1.8732    0.7855 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2175    0.1429    2.6623 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.2059    0.7338   -1.7361 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3623    3.1183   -5.6531 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0
  2  6  1  0
  3  7  2  0
  3  8  1  0
  4  8  1  0
  4 48  1  0
  5 45  2  0
  5 48  1  0
  5100  1  0
  7 10  1  0
  8 11  2  0
  9 19  1  0
  9 53  1  0
  9  6  1  0
 10 24  2  0
 10 54  1  0
 11 24  1  0
 12 21  1  0
 12 52  1  0
 13 21  1  0
 13 22  1  0
 14 18  1  0
 14 22  1  0
 15 23  1  0
 15 46  2  0
 15 53  1  0
 16 20  1  0
 16 47  2  0
 16 54  1  0
 17 25  1  0
 17 49  2  0
 17 52  1  0
 18 50  1  0
 18 55  2  0
 19 51  1  0
 19 56  2  0
 20 28  1  0
 20 51  1  0
 23 27  1  0
 23 50  1  0
 25 29  1  0
 26 29  1  0
 26 52  1  0
 26 57  2  0
 27 30  1  0
 28 31  1  0
 29 72  1  0
 30 32  1  0
 31 33  1  0
 32 59  1  0
 32 60  2  0
 33 61  1  0
 34 58  2  0
 34 61  1  0
 34 62  1  0
 35 36  1  0
 35 59  1  0
 35 64  1  0
 36 38  1  0
 36 63  1  0
 37 38  1  0
 37 64  1  0
 37 39  1  0
 38 66  1  0
 39 65  1  0
 39 68  2  0
 40 42  1  0
 40 65  1  0
 40 67  1  0
 41 43  1  0
 41 44  1  0
 41 67  1  0
 42 44  1  0
 42 69  1  0
 43 70  1  0
 44 71  1  0
 73 75  1  0
 73 98  1  0
 74 75  1  0
 74 97  2  0
 74101  1  0
 75 78  2  0
 76 98  1  0
 76 99  2  0
 76 79  1  0
 77 83  1  0
 77101  1  0
 78 79  1  0
 78 84  1  0
 79102  1  1
 80 84  2  0
 80 87  1  0
 80101  1  0
 81 85  1  0
 81 86  1  0
 81100  1  0
 82 79  1  0
 82 88  1  0
 83 86  2  0
 83 87  1  0
 85 89  1  0
 86 90  1  0
 87103  2  0
 89 91  1  0
 90 91  2  0
 90 92  1  0
 91 93  1  0
 92 94  2  0
 92103  1  0
 93 95  1  0
 93 96  2  0
 94 96  1  0
 96104  1  0
M  RAD  8   1   2   2   2   3   2   4   3   6   2   7   2   9   2  11   2
M  RAD  8  12   3  13   3  14   3  20   2  21   3  22   3  23   2  24   2
M  RAD  8  25   3  27   3  28   3  29   2  30   3  31   3  33   3  35   2
M  RAD  8  36   2  37   2  38   2  40   2  41   2  42   2  43   3  44   2
M  RAD  8  50   2  51   2  53   2  54   2  59   2  61   2  62   3  63   2
M  RAD  8  65   2  66   2  69   2  70   2  71   2  72   2  73   3  77   3
M  RAD  8  81   2  82   3  84   2  85   3  88   2  89   3  94   2  95   2
M  RAD  2 100   2 102   2
M  END
$$$$
