TJL0219
     RDKit          3D

101108  0  0  1  0  0  0  0  0999 V2000
    4.4064   -4.4716    4.9573 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4906   -4.0832    7.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719   -4.3351    5.4151 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7154   -1.8790    7.1110 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6829   -4.0671    6.2291 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6838   -1.5912    6.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -2.7241    5.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815   -0.2090    6.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0148   -2.4332    4.9753 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.4128    1.1726   -3.5403 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3053    1.5587   -2.5160 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5805   -0.0371   -4.2007 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4086   -1.2730    4.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578    0.8062    4.8642 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.2154    0.5944   -2.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4319   -1.0495   -3.7390 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8454   -0.8964    3.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608    0.6964   -0.8261 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1679    0.3952    4.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -0.7147   -2.6768 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3149    0.6437    0.4872 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4451   -3.8610   -1.8706 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5955   -0.1301   -2.1659 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2182   -3.0092   -2.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434   -3.9162   -0.2232 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1788   -1.6090    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    4.2466    1.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    4.3707    2.9774 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5232    4.7138    3.3590 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4461    0.7901    3.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7285   -1.3537    2.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1464   -6.2705   -1.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164   -2.5635   -2.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341    0.1743   -2.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340   -1.8439   -2.5285 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7013   -4.7335    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0999    2.0098    1.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571    3.7912    4.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0622    2.0368    4.4176 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0306   -0.9940   -1.9164 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5741   -2.9888    0.2393 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3527    3.6847    1.1898 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3118   -0.0742    2.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5611   -2.2707    2.0990 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.7366   -6.5466   -3.2480 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6470   -1.8525   -3.9384 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4897    2.1159    4.5791 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7819    0.0998    2.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9982   -2.1354    2.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -6.2094   -4.6403 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3650   -6.3410   -5.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -1.7534   -5.5547 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2741    1.2843    3.4221 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6261   -0.9147    2.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7848   -1.4280   -7.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1085   -1.1149    3.1527 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.2106    0.7801   -8.0510 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3527   -4.9846    8.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951   -2.8356    7.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9237   -5.1602    6.2939 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.3675    0.7911    6.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0392   -0.0918    5.0719 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137   -3.5523   -2.8495 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0892   -1.6296   -0.6581 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874    5.4392    2.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -1.7945    3.1466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8533   -7.1141   -0.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359    3.3072    4.0902 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2092   -1.8311   -1.2595 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.7142   -0.7916   -1.6193 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.0030   -4.4284    0.1937 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.6434    3.0663    0.6727 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9662   -5.2258   -1.5433 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3200   -5.8077   -4.6448 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2619   -3.2776   -0.6722 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.8174   -0.6130    1.0156 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.9784    3.5249    2.2542 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2203    5.0876    3.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7389    3.6333    5.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9117   -2.3221   -3.4538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370    1.1997   -2.6448 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088   -5.6863    1.1838 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    2.0484    2.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6967   -3.3373    2.3333 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3929   -6.7351   -6.5867 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.2350   -0.2318   -7.3982 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.7975   -2.4643   -7.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068   -6.0136   -5.5273 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2778    5.5496    2.4404 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1919    6.5045    1.6574 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8913    2.1057   -7.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4068    3.4185   -7.9255 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9710    3.6774   -9.3437 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8519    2.6554   -9.7433 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7595    1.7622   -8.3681 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0933    4.3664   -6.9017 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4964    5.5774   -6.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521    5.3485   -5.0943 N   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7458    6.7288   -6.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9476    3.7499  -10.1753 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.2812    2.9778  -10.2031 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  5  1  0
  2 58  2  0
  2 59  1  0
  4  6  1  0
  4 59  1  0
  5  3  1  0
  5  7  1  0
  5 60  1  1
  6  7  2  0
  6  8  1  0
  7  9  1  0
  8 61  2  0
  8 62  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 62  1  0
 14 19  1  0
 14 62  1  0
 15 18  1  0
 15 20  2  0
 16 20  1  0
 17 19  2  0
 17 66  1  0
 19 30  1  0
 21 37  1  0
 21 76  1  0
 21 18  1  0
 22 73  1  0
 22 33  1  0
 23 34  1  0
 23 40  1  0
 24 35  1  0
 24 63  2  0
 24 75  1  0
 25 36  1  0
 25 75  1  0
 26 41  1  0
 26 64  2  0
 26 76  1  0
 27 42  1  0
 27 65  2  0
 27 77  1  0
 28 77  1  0
 28 78  1  0
 29 38  1  0
 29 78  1  0
 29 89  1  0
 30 39  1  0
 30 43  2  0
 31 43  1  0
 31 44  1  0
 31 66  2  0
 32 45  1  0
 32 67  2  0
 32 73  1  0
 33 69  1  0
 33 80  2  0
 34 70  1  0
 34 81  2  0
 35 46  1  0
 35 70  1  0
 36 71  1  0
 36 82  2  0
 37 72  1  0
 37 83  2  0
 38 68  1  0
 38 79  2  0
 39 47  1  0
 39 68  1  0
 40 69  1  0
 41 71  1  0
 42 72  1  0
 43 48  1  0
 44 49  2  0
 45 50  1  0
 46 52  1  0
 47 53  1  0
 48 53  1  0
 48 54  2  0
 49 54  1  0
 49 84  1  0
 50 51  1  0
 50 88  1  0
 51 74  2  0
 51 85  1  0
 52 55  1  0
 54 56  1  0
 55 86  1  0
 55 87  2  0
 57 86  1  0
 89 90  1  0
 91 92  1  0
 92 93  1  0
 92 96  1  0
 93 94  1  0
 93100  1  0
 94 95  1  0
 94101  1  0
 95 91  1  0
 95 57  1  0
 96 97  1  0
 97 98  1  0
 97 99  2  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  25   3  28   3
M  RAD  8  29   2  35   2  39   2  40   3  41   3  42   3  44   2  45   3
M  RAD  8  46   3  47   3  50   2  52   3  53   3  56   2  57   3  60   2
M  RAD  8  68   2  69   2  70   2  71   2  72   2  73   2  75   2  76   2
M  RAD  8  77   2  85   2  86   2  88   2  89   3  90   2  92   2  93   2
M  RAD  6  94   2  95   2  96   3  98   3 100   2 101   2
M  END
$$$$
