TJLLIN0033
     RDKit          3D

 76 76  0  0  1  0  0  0  0  0999 V2000
   21.9517   -1.2557    2.9405 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.4252    0.2203    3.8473 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.7459   -0.0219    2.3920 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.3530   -1.5916    1.2900 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.2208   -0.3462    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4050   -0.6494   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0350    0.1860   -1.1411 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6937   -0.8432   -1.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002   -0.4357   -1.0552 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.4682   -2.5644   -7.8907 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.6037   -4.2893   -9.5027 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.8458   -0.3451   -4.6608 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.2168   -1.7289   -5.9018 C   0  0  0  0  0  2  0  0  0  0  0  0
   22.2130   -0.2406    1.7923 C   0  0  0  0  0  2  0  0  0  0  0  0
   21.2883   -1.9236    4.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6716   -0.4160    4.5143 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.8326   -0.8619    1.4437 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.8728   -1.6030    0.8893 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.4163    0.1727   -1.4814 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.9861   -1.5123    1.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3736   -0.5467    0.3169 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5341    0.4384   -1.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -0.4769   -1.3659 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3727   -1.0816   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4306   -0.3193    0.2542 C   0  0  0  0  0  3  0  0  0  0  0  0
  -18.9936   -5.6975   -9.9078 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.4806   -2.6685   -6.4940 C   0  0  0  0  0  3  0  0  0  0  0  0
  -17.0610   -3.7508   -8.9967 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.5465    0.7068   -0.1236 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.3887   -0.2492   -3.1128 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8314   -0.6004    1.5946 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.3593    2.0468    0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2358    4.2762    6.1171 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.8800    5.5051    8.5162 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.2931    3.0586    3.3491 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.2063    5.6515    9.2944 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1393    4.1229    4.3653 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.5837    4.5662    7.1642 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6782   -1.9603   -0.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5485   -1.5683   -1.5966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6988   -1.4235    0.6009 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8930   -1.0651    4.9622 N   0  0  0  0  0  2  0  0  0  0  0  0
  -17.0669   -1.4164   -7.9591 O   0  0  0  0  0  1  0  0  0  0  0  0
  -19.4127   -3.4173   -9.9226 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.9679    0.2105   -5.3954 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.3302   -0.4012    1.4852 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.7230   -0.4883   -1.7447 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5667   -0.3177   -0.8613 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.1257   -1.5030    0.5226 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3646    0.7258    0.8353 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5567   -6.9817  -10.4621 O   0  0  0  0  0  1  0  0  0  0  0  0
   17.5083    0.8104    3.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0110    0.7346   -0.2546 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3159   -0.0370   -1.3699 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.5454    0.3727   -0.9243 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.8259   -0.8613   -5.5406 N   0  0  0  0  0  2  0  0  0  0  0  0
   21.0816   -3.1482    4.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7038   -2.3673    2.6539 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838    1.5594   -0.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8672   -3.5379   -5.6511 O   0  0  0  0  0  1  0  0  0  0  0  0
  -16.1930   -4.1180   -9.8920 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.3134   -0.8740    2.9128 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.8625    2.9758    0.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0298    6.3334    8.9475 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.3790    1.9380    2.2486 N   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0483    4.3519    6.6823 O   0  0  0  0  0  1  0  0  0  0  0  0
  -16.3972    5.9416   10.0846 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.4555    3.6160    7.0819 O   0  0  0  0  0  1  0  0  0  0  0  0
  -12.6629    5.1124    3.7366 O   0  0  0  0  0  1  0  0  0  0  0  0
   23.4688    0.9137    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1474    1.9811   -0.7977 C   0  0  0  0  0  3  0  0  0  0  0  0
   22.3914    2.7536   -0.2433 C   0  0  0  0  0  3  0  0  0  0  0  0
   21.9477    2.0383    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6491    0.7490    0.4417 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4651    2.6449    1.8950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2968   -2.3081   -1.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 52  1  0
  3 17  1  0
  3 52  1  0
  4 18  1  0
  4 20  1  0
  5 25  1  0
  5 41  2  0
  5 53  1  0
  6 21  1  0
  6 40  2  0
  6 55  1  0
  7 22  1  0
  7 55  1  0
  8 23  1  0
  8 39  2  0
  8 54  1  0
  9 24  1  0
  9 54  1  0
 10 27  1  0
 10 28  1  0
 10 43  1  0
 11 26  1  0
 11 28  1  0
 11 44  1  0
 12 30  1  0
 12 45  1  0
 12 56  1  0
 13 27  1  0
 13 56  1  0
 14 50  1  0
 15 42  1  0
 15 57  2  0
 16 42  1  0
 17 49  1  0
 18 49  1  0
 19 29  1  0
 19 30  1  0
 20 46  1  0
 20 58  2  0
 21 46  1  0
 22 47  1  0
 22 59  2  0
 23 47  1  0
 24 48  1  0
 24 76  2  0
 25 31  1  0
 25 48  1  0
 26 51  1  0
 27 60  1  0
 28 61  1  0
 29 32  1  0
 29 53  1  0
 31 62  1  0
 32 63  2  0
 32 65  1  0
 33 37  1  0
 33 38  1  0
 33 66  1  0
 34 36  1  0
 34 38  1  0
 34 64  1  0
 35 37  1  0
 35 65  1  0
 36 67  1  0
 37 69  1  0
 38 68  1  0
 50 70  1  0
 70 71  1  0
 70 74  2  0
 71 72  2  0
 72 73  1  0
 73 50  1  0
 73 75  2  0
M  RAD  8   1   3   2   3   3   3   4   3   7   3   9   3  10   2  11   2
M  RAD  8  12   2  13   3  14   3  16   3  17   3  18   3  19   3  21   3
M  RAD  8  23   3  25   2  26   3  27   2  28   2  29   2  30   3  31   3
M  RAD  8  33   2  34   2  35   3  36   3  37   2  38   2  42   2  43   2
M  RAD  8  44   2  45   2  46   2  47   2  48   2  51   2  53   2  54   2
M  RAD  8  55   2  56   2  60   2  61   2  62   2  64   2  65   2  66   2
M  RAD  5  67   2  68   2  69   2  71   2  72   2
M  END
$$$$
