TJL0203
     RDKit          3D

 97105  0  0  1  0  0  0  0  0999 V2000
   18.2543   -1.5753    1.6145 C   0  0  0  0  0  1  0  0  0  0  0  0
   18.7083    1.9900    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9305   -0.0499    1.3443 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.9757    3.1751   -0.6465 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.6503    1.4242    1.1639 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8265    2.5452   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1778    1.6162    0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4305    2.6452   -0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0491    0.8275    1.1366 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6723    3.4285    2.0016 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8820    2.7399    1.0724 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0577    3.5523    1.7273 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.8438    0.7528    0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3579    1.1840   -0.8523 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4538    2.1939   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168    2.8420    0.6837 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.8898   -0.3746    0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385    1.8135   -1.1037 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8287    2.0693   -0.2054 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.9833   -0.0919   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922    1.3940   -2.0108 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.3887   -3.3121    0.3439 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.3034   -0.8753   -1.1194 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0838    1.7172   -2.1429 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0934    0.7392   -0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2707   -0.5869   -1.8366 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2107   -0.8237   -1.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    3.9741   -2.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0197    2.5069   -1.8054 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8008    1.2732   -2.3358 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1287   -1.0897   -0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0310   -2.3935    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3328   -4.3635    1.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9633    2.5477   -2.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576   -1.3194   -1.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629    2.4032   -2.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0400    1.0452   -3.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7828   -2.2157   -0.5439 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.8873    0.4757   -1.7282 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5596    1.3448   -0.9738 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5772   -0.9595   -2.3180 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0312    2.9606   -2.0507 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2756   -0.9957   -2.0299 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.1571   -2.3308   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0189   -3.5150    1.9232 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.6625   -5.0368    2.5279 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5506   -2.1937   -2.3019 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.3894   -4.7383    2.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4910    1.4111    0.1588 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.3847   -3.5313   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2457   -4.6321    1.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5022   -5.2966    3.2470 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5025    1.6745    1.3784 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.6304   -3.4566   -1.4903 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.4215   -4.6600    0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3489    2.2273    2.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825   -5.9667    0.2118 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.8411    0.4199    3.3273 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.8673   -0.5741    3.0714 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.2125   -0.3597    0.5075 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.5648   -1.0714    1.5699 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.0968    0.4954   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0348   -0.9982    3.8840 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.1242   -1.1366    2.9211 C   0  0  0  0  0  3  0  0  0  0  0  0
   19.8451    1.5215   -0.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2971    3.0900   -0.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8980    2.0649    2.3056 O   0  0  0  0  0  1  0  0  0  0  0  0
   14.1982    3.5071   -1.5994 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5192    1.6651   -0.3205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5326    0.9119    0.3218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867   -1.5962   -0.8282 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828    5.0069   -2.9178 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9368   -1.4733    1.4300 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1435   -4.3128    0.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7672    2.0883   -2.1118 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0466   -0.8945   -2.7869 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.5941   -0.2002   -3.0711 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.8311    2.0908   -1.7073 N   0  0  0  0  0  2  0  0  0  0  0  0
  -13.9815   -4.0894    1.2944 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6144    0.1693   -1.8988 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.6628    0.0670   -2.3045 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.3785    3.8172   -2.0550 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.6845    1.3703   -1.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2117    3.5266   -3.2161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525   -2.2897   -1.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    3.4716   -2.8669 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    1.9648   -3.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3146   -5.6834    2.4679 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1998   -5.0090    2.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7578    1.4555    3.5021 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.4656    3.4449    2.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1602   -0.8564    1.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4722    1.8052    0.4319 N   0  0  0  0  0  1  0  0  0  0  0  0
  -14.8180   -1.9004    4.7530 O   0  0  0  0  0  1  0  0  0  0  0  0
  -17.5977    0.1944   -1.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3530   -1.0490    3.1571 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.3891   -6.7640    3.7856 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 20  1  0
 14 69  1  0
 15 18  1  0
 15 19  2  0
 16 19  1  0
 17 20  2  0
 17 73  1  0
 20 31  1  0
 21 18  1  0
 21 36  1  0
 21 81  1  0
 22 38  1  0
 22 79  1  0
 23 38  1  0
 23 39  1  0
 24 34  1  0
 24 39  1  0
 25 40  1  0
 25 70  2  0
 25 80  1  0
 26 35  1  0
 26 80  1  0
 27 41  1  0
 27 71  2  0
 27 81  1  0
 28 42  1  0
 28 72  2  0
 28 82  1  0
 29 82  1  0
 29 83  1  0
 30 37  1  0
 30 83  1  0
 31 43  1  0
 31 44  2  0
 32 44  1  0
 32 45  1  0
 32 73  2  0
 33 46  1  0
 33 74  2  0
 33 79  1  0
 34 75  1  0
 34 84  2  0
 35 76  1  0
 35 85  2  0
 36 78  1  0
 36 86  2  0
 37 77  1  0
 37 87  2  0
 40 49  1  0
 40 75  1  0
 41 76  1  0
 42 78  1  0
 43 47  1  0
 43 77  1  0
 44 50  1  0
 45 51  2  0
 46 52  1  0
 47 54  1  0
 48 52  1  0
 48 79  1  0
 48 89  2  0
 49 53  1  0
 50 54  1  0
 50 55  2  0
 51 55  1  0
 51 88  1  0
 52 97  1  0
 53 56  1  0
 55 57  1  0
 56 90  1  0
 56 91  2  0
 58 90  1  0
 59 58  1  0
 59 63  1  0
 59 92  1  0
 60 62  1  0
 61 60  1  0
 61 64  1  0
 61 92  1  0
 62 93  1  0
 62 95  2  0
 63 64  1  0
 63 94  1  0
 64 96  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  19   2  21   2  22   3  23   3  24   3  26   3
M  RAD  8  29   3  30   3  38   3  39   3  40   2  41   3  42   3  43   2
M  RAD  8  45   2  46   3  47   3  49   3  52   2  53   3  54   3  57   2
M  RAD  8  58   3  59   2  60   3  61   2  63   2  64   2  67   2  75   2
M  RAD  8  76   2  77   2  78   2  80   2  81   2  82   2  90   2  93   3
M  RAD  3  94   2  96   2  97   2
M  END
$$$$
