TJL0217
     RDKit          3D

101108  0  0  1  0  0  0  0  0999 V2000
    4.7122   -6.3559    8.6815 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.7672   -2.5554    8.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880   -4.9193    8.7306 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1360   -2.4062    6.5107 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4826   -3.5374    8.8697 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7395   -2.7646    6.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3969   -3.2950    7.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526   -2.7595    5.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.6170    7.7626 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.6860    0.0480   -6.0141 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8552   -0.5990   -5.6263 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8048    1.3786   -6.5076 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0184   -3.2172    6.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421   -2.5342    5.0748 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0252    0.1844   -5.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7701    2.1179   -5.8057 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3846   -3.7029    6.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2228   -0.5641   -5.0033 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8597   -3.2616    5.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9582    1.5306   -5.2800 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2580   -1.6214   -4.9505 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5906    9.7707   -6.4947 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4870    4.5647   -7.1061 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8796    0.0968   -5.4232 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6096   -2.5116   -4.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -3.1298   -5.6139 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5284   -3.3794   -6.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7005   -2.9309   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5195   -2.7597    1.2889 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.5983   -2.6920    2.6150 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9185   -3.9297    5.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3986   -5.6908    6.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2188   11.6733   -6.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6755    8.3036   -6.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8339    3.0865   -7.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081   -1.0859   -4.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195   -1.6070   -3.7265 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5956   -3.7122   -6.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5704   -1.2876   -4.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4994   -1.9272    3.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8051   -3.4813    3.8861 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3345    6.1331   -7.1084 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8481    1.2695   -6.0686 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0731   -3.4570   -5.9518 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4689   -2.4553   -2.0871 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9903   -5.2904    5.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287   -6.9893    7.1861 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0804   11.1094   -6.8324 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.5246   -1.2881   -2.2904 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1680   -4.5529    2.9892 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5700   -6.4802    4.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7341   -7.9998    6.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   10.7514   -7.4759 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6287   11.2240   -8.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -1.0030   -0.7192 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0644   -6.0362    3.5809 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3308   -7.8059    5.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858   -0.9539    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8139   -9.0962    4.3227 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.8731    0.0764    2.8110 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9464    0.8478    3.6258 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8730    0.7634    4.9708 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3113    1.2695    4.9654 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0657    0.6814    6.2242 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5085   -2.2989    9.6693 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1485   -2.1447    7.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083   -3.4468   10.1182 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.0727   -3.2620    4.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999   -2.5719    5.7798 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734   -3.1767   -3.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8979   -4.1681   -7.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3374   -4.0082   -0.6291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7901   -4.7552    7.5591 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133   12.6714   -5.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1504    7.5704   -7.3688 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7713   -2.4940    4.2207 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.8815    2.3103   -6.1785 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.8315   -1.2559   -4.7943 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7399   -3.5297   -5.3113 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2200   -2.3713   -3.6205 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.4161   11.2502   -6.6371 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.2645   12.2455   -9.4322 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1397   -2.5295   -5.2779 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4291   -2.3539   -6.0876 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4404   -2.0938    0.2936 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5657   -3.4532    2.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3061   -0.7823    2.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760    7.8979   -5.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1834    2.7472   -8.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714   -1.8988   -4.1200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -4.3103   -7.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9189   -0.0870   -4.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955   -9.2929    6.7540 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491   10.7398   -9.6052 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5781    0.1825    1.4326 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.3595   -1.9121    1.0556 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    0.0133    3.7609 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    0.3256    3.7127 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.7739    2.2463    5.6947 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.2788    0.6916    7.3727 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.6266   10.5461   -6.4544 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  5  1  0
  2 65  2  0
  2 66  1  0
  4  6  1  0
  4 66  1  0
  5  3  1  0
  5  7  1  0
  5 67  1  1
  6  7  2  0
  6  8  1  0
  7  9  1  0
  8 68  2  0
  8 69  1  0
  9 13  2  0
 10 11  2  0
 10 12  1  0
 11 15  1  0
 12 16  2  0
 13 17  1  0
 13 69  1  0
 14 19  1  0
 14 69  1  0
 15 18  1  0
 15 20  2  0
 16 20  1  0
 17 19  2  0
 17 73  1  0
 19 31  1  0
 21 39  1  0
 21 84  1  0
 21 18  1  0
 22 34  1  0
 22 81  1  0
 23 35  1  0
 23 42  1  0
 24 36  1  0
 24 43  1  0
 25 37  1  0
 25 70  2  0
 25 83  1  0
 26 38  1  0
 26 83  1  0
 27 44  1  0
 27 71  2  0
 27 84  1  0
 28 45  1  0
 28 72  2  0
 28 85  1  0
 29 85  1  0
 29 86  1  0
 30 40  1  0
 30 86  1  0
 31 41  1  0
 31 46  2  0
 32 46  1  0
 32 47  1  0
 32 73  2  0
 33 48  1  0
 33 74  2  0
 33 81  1  0
 34 75  1  0
 34 88  2  0
 35 77  1  0
 35 89  2  0
 36 78  1  0
 36 90  2  0
 37 49  1  0
 37 78  1  0
 38 79  1  0
 38 91  2  0
 39 80  1  0
 39 92  2  0
 40 76  1  0
 40 87  2  0
 41 50  1  0
 41 76  1  0
 42 75  1  0
 43 77  1  0
 44 79  1  0
 45 80  1  0
 46 51  1  0
 47 52  2  0
 48 53  1  0
 49 55  1  0
 50 56  1  0
 51 56  1  0
 51 57  2  0
 52 57  1  0
 52 93  1  0
 53 54  1  0
 53101  1  0
 54 82  2  0
 54 94  1  0
 55 58  1  0
 57 59  1  0
 58 95  1  0
 58 96  2  0
 60 61  1  0
 60 95  1  0
 60 97  1  0
 61 63  1  0
 61 98  1  0
 62 63  1  0
 62 64  1  0
 62 97  1  0
 63 99  1  0
 64100  1  0
M  RAD  8   1   2   3   3   4   3   9   2  10   2  11   2  12   2  14   3
M  RAD  8  16   2  18   3  20   2  21   2  22   3  23   3  24   3  26   3
M  RAD  8  29   3  30   3  37   2  41   2  42   3  43   3  44   3  45   3
M  RAD  8  47   2  48   3  49   3  50   3  53   2  55   3  56   3  59   2
M  RAD  8  60   2  61   2  62   2  63   2  64   3  67   2  75   2  76   2
M  RAD  8  77   2  78   2  79   2  80   2  81   2  83   2  84   2  85   2
M  RAD  6  94   2  95   2  98   2  99   2 100   2 101   2
M  END
$$$$
