TJL0186
     RDKit          3D

114118  0  0  1  0  0  0  0  0999 V2000
    1.6962   -2.4470   -3.2140 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.2746   -3.4204   -1.3827 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.4977    0.6847    3.2029 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.4089   -1.5122    1.7896 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2771   -2.2089   -1.7473 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.1309   -3.2152   -0.1184 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2005   -0.0830    1.8270 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.8579   -2.6625   -0.7732 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9151    0.8826    0.9597 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.9416    0.0240   -1.5251 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2451    0.9286    1.0973 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4445    1.1100   -0.5805 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7759    1.0323   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1525   -1.8496    0.6024 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3295   -0.3224   -0.0025 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5718   -0.8254   -1.3224 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.0640    0.0682   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3513    0.6017    0.5514 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1492    0.0689    1.7631 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.5082    0.1880   -0.5866 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6456    0.5089   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9045   -0.3667   -1.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1033    0.0167   -1.3280 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.6514    1.0959    0.1088 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.1974   -0.8692   -1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2285   -0.7995    0.2685 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.3195   -3.8621   -0.6961 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.2637   -4.2852    1.0636 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.8505   -1.7948    2.8045 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2698   -0.8412    1.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3779   -1.3338    0.3606 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.5650   -1.8398   -1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0784   -2.9266    1.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4910   -1.1663    1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250    2.3149   -1.1808 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8731   -0.7558   -0.5624 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.8202   -0.4957    3.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7002   -1.0817    1.1177 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.1282   -4.6269   -0.1552 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.9055   -3.1252    2.0102 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.1979    0.4081    1.9624 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1141   -2.7452   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189   -0.4592   -2.6318 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8183   -2.8604    0.1782 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.5931    1.6275   -1.5379 C   0  0  0  0  0  1  0  0  0  0  0  0
   14.3571    0.5961    0.6391 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.4212   -0.9193   -0.7189 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8644   -1.5235    0.0410 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.3634    1.5049    0.1113 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.7111   -1.5846   -2.6933 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.6704    0.5438   -3.9011 C   0  0  0  0  0  1  0  0  0  0  0  0
   11.0807    3.3447    0.0557 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.1733    1.6703    1.2383 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.0968   -2.8302    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0349   -3.3272   -0.9739 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.8867   -1.5709    0.4313 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3914    3.0392    0.4756 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.6573    1.5430    0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8321   -3.6815   -1.9481 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2473    0.1565    2.7206 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.5742    4.3651   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548   -4.0237   -2.1606 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.7079    2.4669    0.5765 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7320   -4.1553   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2908    1.4696   -0.3509 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.5255    3.6208    1.2807 C   0  0  0  0  0  1  0  0  0  0  0  0
  -13.4847    5.4093   -1.1955 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.0835    0.0152   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4379   -0.6460    0.9750 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.6960    5.6963   -2.0667 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.5167   -0.7098   -1.2528 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.3953    7.4637   -0.4475 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.3007    6.9716   -1.4868 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.1520   -2.0066    1.0976 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.7851    8.9203   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2876   -2.0490   -1.1590 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.6358   -2.7180    0.0185 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1590    1.8792    0.7656 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7880   -0.3622    0.9976 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866    0.1235   -0.9998 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.1386   -1.7631    2.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2692   -1.6672   -2.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6451   -3.6478    2.5043 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3335   -1.3866   -0.6569 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0585    0.5055    3.0026 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.8315    1.4172   -0.9665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765   -0.3284   -0.0966 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0765   -3.3818    0.3686 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.3026    0.6947   -0.3927 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2931   -2.9119   -0.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6998   -0.8503    0.4144 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.0904   -0.4808   -3.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1771    2.1481    0.8506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0950   -2.0722    2.0158 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.7101   -1.3305   -2.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0363    1.0027    1.9309 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7391   -0.3232    4.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9527   -3.3178   -0.9365 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2401   -3.6894    1.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3850    2.6570    0.7465 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6831   -4.0142    0.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8673    0.6896    1.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0408    1.9519   -1.2921 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.5842    4.3425   -1.1682 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.7617    5.2561   -0.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8072   -4.1166   -1.7459 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.5816   -4.2099    0.2925 N   0  0  0  0  0  1  0  0  0  0  0  0
  -13.4044    6.4221   -0.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5162    5.7847   -3.3544 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.5884    9.1161   -0.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5711    6.8647   -1.2222 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.3916    9.8058    0.3593 O   0  0  0  0  0  1  0  0  0  0  0  0
    9.8195   -3.0448    1.7431 C   0  0  0  0  0  1  0  0  0  0  0  0
  -19.4179   -1.5934    0.7504 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  4  7  1  0
  4113  1  0
  6  8  1  0
  6 14  1  0
  7  3  1  0
  7 18  1  0
  8 84  1  0
  9 15  1  0
 10 15  1  0
 11 19  2  0
 11 21  1  0
 12 21  1  0
 12 86  1  0
 13 78  2  0
 13 86  1  0
 13 87  1  0
 14 26  1  0
 16  5  1  0
 16 22  1  0
 16 87  1  0
 17 79  2  0
 17 89  1  0
 18 24  1  0
 18 89  1  0
 19 34  1  0
 20 25  1  0
 21 36  2  0
 22 80  1  0
 22 92  2  0
 23 17  1  0
 23 43  1  0
 23 80  1  0
 24 20  1  0
 24 93  1  0
 25 84  1  0
 25 95  2  0
 26 46  1  0
 26 84  1  0
 27 39  1  0
 27 90  1  0
 28 39  1  0
 28 40  1  0
 29 37  1  0
 29 40  1  0
 30 41  1  0
 30 81  2  0
 30 91  1  0
 31 42  1  0
 31 91  1  0
 31 15  1  0
 32 47  1  0
 32 82  2  0
 32 90  1  0
 33 44  1  0
 33 83  2  0
 33 94  1  0
 34 48  2  0
 34 94  1  0
 36 48  1  0
 37 85  1  0
 37 97  2  0
 38 87  1  0
 41 53  1  0
 41 85  1  0
 42 88  1  0
 42 98  2  0
 43 50  1  0
 43 51  1  0
 44 55  1  0
 44 88  1  0
 45 89  1  0
 46 49  1  0
 46 96  1  0
 47 56  1  0
 49 35  1  0
 49 58  1  0
 52 93  1  0
 53 57  1  0
 54 56  1  0
 54 90  1  0
 54 99  2  0
 55 59  1  0
 56114  1  0
 57 61  1  0
 58100  1  0
 58102  2  0
 59 62  1  0
 60 96  1  0
 61104  1  0
 61105  2  0
 62106  1  0
 63 65  1  0
 63 66  1  0
 63100  1  0
 64101  2  0
 64106  1  0
 64107  1  0
 65 68  1  0
 65103  1  0
 67 70  1  0
 67104  1  0
 67108  1  0
 68 69  2  0
 68 71  1  0
 69 74  1  0
 70 73  1  0
 70109  1  0
 71 76  2  0
 72 73  1  0
 72108  1  0
 72 75  1  0
 73111  1  0
 74 77  2  0
 75110  2  0
 75112  1  0
 76 77  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   6   3   7   2   8   3
M  RAD  8   9   2  10   2  11   2  12   3  14   3  15   2  16   2  18   2
M  RAD  8  19   2  20   3  23   2  24   2  26   2  27   3  28   3  29   3
M  RAD  8  31   2  35   2  36   2  38   2  39   3  40   3  41   2  43   2
M  RAD  8  44   2  45   2  46   2  47   3  48   2  49   2  50   2  51   2
M  RAD  8  52   2  53   3  55   3  56   2  57   3  59   3  60   2  62   3
M  RAD  8  63   2  65   2  66   2  67   2  69   2  70   2  71   2  72   2
M  RAD  8  73   2  74   2  76   2  77   2  80   2  85   2  88   2  91   2
M  RAD  8  94   2 100   2 103   2 104   2 106   2 107   3 109   2 111   2
M  RAD  3 112   2 113   2 114   2
M  END
$$$$
