TJLLIN0037
     RDKit          3D

 49 49  0  0  1  0  0  0  0  0999 V2000
   12.9713    3.1163    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4755    4.3945    0.2268 C   0  0  0  0  0  2  0  0  0  0  0  0
  -14.1246   -0.6854   -1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1112    0.7055   -3.4667 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3109    0.5048    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130   -0.0032    0.6491 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4244   -0.7459    0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7140   -0.2080   -0.3475 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.0391    0.4257   -2.3938 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.6170    4.3767   -1.2660 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.3195   -0.3748   -0.3764 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1251   -1.9786    0.7529 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0298   -1.3256    0.7668 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4822   -0.5700    1.3079 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.3788   -1.0060   -0.1029 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.5263    0.3324    1.7224 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5243    0.1004    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9422   -0.4297    0.6172 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.1983   -0.1738   -0.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8079    1.0740   -0.3749 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.6231   -0.5067    0.2719 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1820    3.0861   -1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7380   -1.7642   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4684   -2.3299    0.0493 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7428   -0.8516    0.0253 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5719   -0.6910    2.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1591   -1.6677    0.9650 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1121    2.8907    1.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8905   -1.3250   -2.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    1.2965   -0.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7858   -1.6566    1.3088 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0938    0.2553   -1.2655 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.7255    0.3164    2.6312 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4582   -0.3082    1.0163 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.0142   -0.8980    0.1121 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.7916   -2.6992   -0.5115 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.3108    2.3387   -0.4208 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6352   -0.4412   -0.5966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7433   -0.2347    1.2774 N   0  0  0  0  0  2  0  0  0  0  0  0
  -18.0942    1.1028   -4.2666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1693    0.0184   -0.2647 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.0553   -1.7328    1.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6603    0.5328   -1.0152 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4807    0.5776   -1.6135 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9524   -1.9769   -0.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9669   -2.3209    1.9719 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.5244    2.8227   -2.7274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8319   -1.5939    3.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2782    0.2312   -5.3596 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 28  2  0
  1 37  1  0
  2 10  1  0
  3 15  1  0
  3 29  2  0
  3 32  1  0
  4  9  1  0
  4 40  1  0
  5 16  1  0
  5 30  2  0
  5 39  1  0
  6 17  1  0
  6 39  1  0
  7 18  1  0
  7 31  2  0
  7 41  1  0
  8 19  1  0
  8 41  1  0
  9 32  1  0
 10 22  1  0
 11 20  1  0
 11 23  1  0
 12 24  1  0
 12 42  1  0
 13 25  1  0
 13 42  1  0
 14 21  1  0
 14 26  1  0
 15 27  1  0
 15 35  1  0
 16 33  1  0
 17 34  1  0
 17 43  2  0
 18 34  1  0
 19 35  1  0
 19 44  2  0
 20 37  1  0
 21 38  1  0
 22 37  1  0
 22 47  2  0
 23 36  1  0
 23 45  2  0
 24 36  1  0
 25 38  1  0
 26 33  1  0
 26 48  2  0
 27 46  1  0
 40 49  1  0
M  RAD  8   2   3   4   3   6   3   8   3   9   3  10   3  11   3  12   3
M  RAD  8  13   3  14   3  15   2  16   3  18   3  20   3  21   3  24   3
M  RAD  8  25   3  27   3  32   2  33   2  34   2  35   2  36   2  39   2
M  RAD  3  41   2  46   2  49   2
M  END
$$$$
