TJLLIN0127
     RDKit          3D

 92 95  0  0  1  0  0  0  0  0999 V2000
   -8.7753    3.0492    1.2840 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.4863    1.7226    3.4271 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.8330   -2.8063    2.1552 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.1726   -2.7968    1.3780 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1408   -1.5971   -1.9828 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7564    2.0965   -6.4644 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.0271    0.9116   -6.9986 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.7612    2.5672   -0.2197 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.7983    1.9798   -1.7287 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1463   -1.0775    2.8294 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.7906    1.6217    1.9950 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.5034   -2.4054    2.0102 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.7802   -2.4091    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9722   -0.9634   -1.1328 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.4171   -1.4452    2.6472 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.9817   -1.5730    2.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9908    1.3681   -5.8963 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6713    1.5467   -0.6933 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8604    2.4591   -2.8383 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.1028   -0.7555   -1.1333 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6637   -0.0040   -0.1091 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5663   -0.5753    2.2189 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.0574    0.7745    2.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1754    0.3974    1.4887 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.0398   -1.3671   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0294   -1.6387    0.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3768   -1.6095    0.1263 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.9163   -1.7290    1.5997 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.3625    1.3804   -4.4978 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.1123   -1.8517   -0.0040 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.9827   -0.3628   -1.5713 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.0565    2.1377   -2.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -0.8230   -0.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3921    0.3362    0.0666 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9369    0.6261    0.7082 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5043    0.2823    1.0413 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.8479   -1.1062    2.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7692    0.1402    3.0230 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.1555   -0.5342    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1363   -0.1953   -0.6327 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.0254   -1.2244    0.0161 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.8964   -2.1269    0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4481   -2.0424    0.7362 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.9202   -1.2866   -0.7907 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.3281    0.8218   -2.3017 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.9048    0.2189   -3.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2997   -0.3756   -2.2156 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2877    0.3455    1.0529 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.5116    0.8890    0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5375    0.5586   -1.8175 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2143    0.7358    4.2073 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3746    1.9643    5.2517 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5375   -1.2697   -3.0940 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.3166    3.6300   -4.7850 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.1968   -1.7556    1.2019 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.9472    1.3865   -3.1011 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5813    1.2654    5.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6922    2.3205    6.4065 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1561    2.3154    0.1270 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.9662   -0.7780   -4.4756 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.7066   -2.4756   -2.5287 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.2146    1.3775    2.9048 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.2831    2.2617   -4.3812 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2116    2.0208    7.6653 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1302    0.9835    6.6229 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4439    1.3655    7.7718 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.6851    2.9088   -6.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2733   -1.4072    3.5757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2235    1.9634    2.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1791   -2.3049   -1.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5232   -3.1681    1.5882 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9784   -0.6770    2.2682 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9197    0.1817   -0.1341 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.7502    3.0301   -2.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5532   -1.3604   -0.5025 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868    0.5870   -2.6472 N   0  0  0  0  0  2  0  0  0  0  0  0
   16.6779   -1.9501    1.2936 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7468    0.1010   -0.1494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8834   -0.0346    1.7884 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.7328   -1.1754    0.9048 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.2384    2.3409   -3.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3628   -0.7182    0.0969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447    1.1786    0.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766   -1.9235    3.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1128   -1.7550    0.8570 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1561   -2.5560   -0.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1987   -0.9194   -4.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    0.2234    2.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1084    1.7982    1.3924 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5422    3.1132   -5.5525 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.3942    1.6340   -6.0484 N   0  0  0  0  0  1  0  0  0  0  0  0
  -14.2225    3.6727   -7.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0
  2 11  1  0
  3 12  2  0
  3 13  1  0
  4 13  1  0
  4 71  1  0
  5 14  1  0
  5 20  1  0
  6 17  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
 12 26  1  0
 13 27  2  0
 15 16  1  0
 15 28  2  0
 16 68  2  0
 16 77  1  0
 18  8  1  0
 18 34  1  0
 20 78  1  0
 21 14  1  0
 21 36  1  0
 21 78  1  0
 22 10  1  0
 22 36  1  0
 22 37  1  0
 23 38  1  0
 23 69  2  0
 23 79  1  0
 24 39  1  0
 24 79  1  0
 24 11  1  0
 25 40  1  0
 25 70  2  0
 25 80  1  0
 26 41  2  0
 26 80  1  0
 27 41  1  0
 28 42  1  0
 29 46  1  0
 29 81  1  0
 29 17  1  0
 30 43  1  0
 30 44  1  0
 31 44  1  0
 31 45  1  0
 32 45  1  0
 32 74  2  0
 32 81  1  0
 33 75  2  0
 33 82  1  0
 34 48  1  0
 34 82  1  0
 35 49  1  0
 36 83  1  0
 37 72  1  0
 37 84  2  0
 38 51  1  0
 38 72  1  0
 39 73  1  0
 39 85  2  0
 40 50  1  0
 40 73  1  0
 42 77  1  0
 42 86  2  0
 43 77  1  0
 46 76  1  0
 46 87  2  0
 47 33  1  0
 47 53  1  0
 47 76  1  0
 48 35  1  0
 48 88  1  0
 49 78  1  0
 49 89  2  0
 50 56  1  0
 51 57  1  0
 52 57  2  0
 52 58  1  0
 53 60  1  0
 53 61  1  0
 54 81  1  0
 55 82  1  0
 56 63  1  0
 57 65  1  0
 58 64  2  0
 59 83  1  0
 62 88  1  0
 63 90  1  0
 64 66  1  0
 65 66  2  0
 67 90  1  0
 67 91  1  0
 67 92  2  0
M  RAD  8   1   2   2   2   3   2   4   3   5   3   6   2   7   2   8   2
M  RAD  8   9   3  10   2  11   2  12   2  14   3  15   2  17   2  18   2
M  RAD  8  19   2  20   3  21   2  22   2  24   2  27   2  28   2  29   2
M  RAD  8  30   3  31   3  34   2  35   3  36   2  38   2  40   2  41   2
M  RAD  8  43   3  44   3  45   3  47   2  48   2  50   3  51   3  52   2
M  RAD  8  53   2  54   2  55   2  56   3  58   2  59   2  60   2  61   2
M  RAD  8  62   2  63   3  64   2  65   2  66   2  71   2  72   2  73   2
M  RAD  5  76   2  79   2  80   2  90   2  91   3
M  END
$$$$
