TJLLIN0113
     RDKit          3D

304313  0  0  1  0  0  0  0  0999 V2000
    2.5005    1.4436    3.7999 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6222   -0.6060    3.8502 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2287   -3.3225    4.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.8156    4.2344 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7846    4.9354    4.0251 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8467   -1.8915    4.4597 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2451    6.3197    3.6051 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7231    7.8184    2.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    7.3916    2.3225 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9790    7.7369    3.8376 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9102    7.4591    2.8235 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1771    6.8715    4.3859 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0334    6.6459    2.0400 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9392    5.4501    4.0015 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8023    5.7544    1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5581    7.5646   -0.6526 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2206    4.7351    2.8382 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8244    6.0640   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7687    4.7750    1.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7422    3.3035    1.3493 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4663    4.1101    0.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5942    2.2514    1.6649 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4339    3.0457    0.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1201    1.7137    0.7086 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.2206    0.9487    1.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9593   -0.0438    2.2656 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9848    0.6683    1.0232 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.5954   -2.3618    2.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5968   -3.2950    2.2160 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3882  -10.5902   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3897   -9.7428    0.8564 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9407   -5.3261    1.7358 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0511    2.7368   -3.6220 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.1031   -6.5288    2.1073 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7898    1.4828   -3.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2053   -8.5331    1.7460 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2038   -5.3120    0.7527 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2206   -2.3792   -3.4091 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5888   -0.4967   -2.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3189    0.1819   -3.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054   -0.2579   -3.4872 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8372   -0.7206   -2.7661 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6446   -1.4601   -2.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2665   -6.0251    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613   -0.7898   -2.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2299   -3.2632   -2.9798 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7165   -1.4274   -4.2749 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3463   -0.9768   -3.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8574   -2.1233   -2.3313 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7875   -3.2079   -1.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2411   -1.4310   -1.2124 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.7298   -4.1595   -1.3596 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2964   -2.2564   -0.8527 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3163   -2.9133   -4.3354 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0652   -3.4032   -2.4461 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8224   -3.9316   -3.2105 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6536   -0.7531   -3.0042 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.0991   -0.1496   -3.3239 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.3317   -0.2234   -2.1248 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.8995   -1.1867   -0.6887 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1136    0.1191   -3.0665 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8949   -4.2316    5.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679    4.0336    4.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    0.3614    3.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4932    7.5743    3.4231 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.0389    8.7193    1.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8121    7.1067    1.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7190    5.5311   -1.1048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5839    4.5425   -0.6738 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6973   -2.8702    3.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2450   -1.1308    3.2866 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8481  -10.6728   -1.4417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4751   -7.6025    2.6576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1241    1.7279   -3.1649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0850   -4.4519    1.3317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0121    0.7689   -3.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7003  -10.7316   -0.1821 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.0573   -0.1850   -2.4115 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2892   -7.2383    0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2083   -5.3270   -0.5813 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.3652   -1.4438   -2.7565 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.3751   -0.8107   -4.7712 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688    0.2045   -4.0102 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9941   -0.2678   -0.9529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236  -10.0421    0.8218 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.2486    0.3342  -10.3461 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.3470   -1.9550  -11.1594 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.7440    2.2679  -11.1865 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9343    2.7964  -10.2240 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.2424   -0.8610  -10.4672 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.4372    2.5809  -11.5256 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4843    2.9418  -10.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4435   -5.6368   -4.6327 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.1660   -4.6162   -6.3530 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1561   -4.4528   -7.2496 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6659   -3.1816  -11.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519   -0.8001  -11.0890 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5692    2.9361  -11.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    3.6000  -10.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7905    3.9571   -9.6264 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6238   -4.1563   -9.8021 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3891    0.4186  -11.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387    2.6029  -11.0847 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2552   -7.1844   -2.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3237   -6.5144   -4.1387 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.7696   -4.5458   -7.1213 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6425   -4.7010   -7.4388 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2840   -4.4737   -7.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4470    4.3014   -9.9759 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3659   -6.4021   -1.2208 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1720   -5.5617   -9.9321 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3565    3.7413  -10.4363 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2503   -7.0574   -9.9167 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8633    4.9249   -9.4704 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.4001   -5.3544   -0.2145 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8766   -8.5400   -9.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832    6.3304   -8.7204 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.0122    7.7275   -6.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731   -4.3762    1.6057 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2740   -4.5293    3.0322 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.1425   -5.9263    3.3270 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.3426   -7.3290    2.6879 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7044   -7.8501    2.2795 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.6964   -3.5889    5.4864 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1137   -8.7776    7.2098 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8988   -3.3304    3.6576 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.2947   -9.1960    7.2143 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1660   -8.2552    2.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2254   -2.9934    5.2390 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1471   -8.1135    7.8898 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1977   -8.2663    7.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -4.6549    1.3596 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1794   -2.8274    0.8148 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3489   -2.5906    6.3687 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0582   -6.8983    8.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -6.9753    7.7254 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5867   -0.2799    2.6057 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9731   -0.2441    6.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -5.2867   10.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411   -1.4851    0.6841 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7775   -0.0402    3.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4635    0.4510    5.6704 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5581   -3.7606    7.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6689   -4.0286    9.3715 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8220   -6.3042    8.3712 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3799   -5.8755    2.0458 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4257   -0.4464    1.5584 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4842    1.9293    5.6921 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3184   -3.0403   10.1838 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6587    3.4346    6.3422 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.3755   -1.9335   10.4664 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0812    4.6459    7.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4872   -0.3056    9.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8777   -1.3637   10.4400 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8694   -3.7643  -12.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    2.6418  -13.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3894    2.5319  -10.2170 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1026   -6.9642   -3.4044 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.6397   -3.5923   -8.5292 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.7365    1.6842  -11.4884 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1124   -7.9927   -1.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7985   -4.9401   -7.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1172   -4.7734   -5.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490   -1.9391  -10.9209 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3776    3.8578  -11.2036 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.9183   -5.4810   -7.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0093    0.1795  -13.0357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392    7.2540   -6.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -4.4150    0.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    7.6076   -7.8890 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.7961    8.7797   -5.9232 N   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0748   -9.1797   -8.8539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1499   -9.0574  -11.1127 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8533   -3.4193    3.7034 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8224   -7.2300    3.2978 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5359   -9.4903    2.1836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5531    0.4422    7.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269   -5.2685   11.2525 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859  -10.3213    7.2645 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5839   -0.1726    4.8399 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0042   -3.5484    8.2576 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4500   -0.2898    0.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -7.2271    2.3381 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.6751   -4.0540    0.5771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7667   -1.5845    7.1672 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1074   -6.4293    9.3147 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.8885    0.1632    3.0259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4904   -4.8327    6.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0213    0.7906    9.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7424    4.3758    8.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034    5.8857    7.0244 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.2860   -1.1935   10.0701 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6647   -0.7583    7.6878 N   0  0  0  0  0  1  0  0  0  0  0  0
    9.8710   -2.2902   -0.0862 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.0537   -2.5786    0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0072   -3.3408    0.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959   -2.5961    3.5284 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.5344   -0.9477    4.4661 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.3101    7.3665    6.0006 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1785    9.9112    5.8644 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3997   -1.0618    3.2980 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0536    6.1665    5.8239 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6831    8.6103    5.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0291   -0.4018   -5.4912 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.4203   -1.8723   -5.7762 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7863   -4.1512   -3.3344 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7189   -2.3989    0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7514   -0.4837    1.9778 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.5721    3.7603    4.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055    6.0991    5.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7981    8.5155    4.6326 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2999   -3.0436   -0.8643 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4561    1.0086    2.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665    3.1354    3.3028 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.3725    1.5000   -3.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9155    0.9385   -4.9518 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8675   -2.6074   -5.7846 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2629   -3.5373   -4.7551 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5987   -4.4092   -1.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5980    7.2559    4.5455 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.9357    1.6100   -1.8964 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2072   -4.0091   -1.4999 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.6469    3.8038    2.5115 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9264   -5.2410   -2.3106 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.1276    4.5986    2.2088 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.6146    1.4994   -0.2900 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5127   -6.5420   -2.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5060    4.9437    2.8354 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.4966    3.9403    4.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3729    0.3481    1.5698 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.4497   -0.8231    2.5074 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.2685   -0.8943    3.9015 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.3123   -1.2602    5.9492 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.2214   -1.4146    7.1218 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0784    3.4407    0.5251 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7960    1.8821   -7.3107 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0102    1.1949   -0.0484 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1452   -0.0598   -8.8473 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.5890   -1.4893    8.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    2.6453    0.3817 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0898    2.6326   -6.3955 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.3055    0.7271   -7.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5915   -0.3189    8.3347 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6509    1.7399    8.3171 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.4067    3.2599    0.6549 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8282    2.3736   -5.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821    0.4749   -7.6649 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4096    4.9204    7.0124 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8076    3.8582    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6389    3.9539   -4.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194    3.2505    8.4210 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7662    5.3771    6.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5215    3.8294    4.3384 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0920    4.4371   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2844    4.2126   -2.7772 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1959    1.3509   -6.7569 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.3476   -1.5795    8.6446 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6234    4.6767    7.9387 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5803    2.5872    5.2617 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6500    4.2650   -3.0764 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4821    1.8995    6.7223 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7793    4.0747   -4.2460 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6605    1.5253    8.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3572    3.3050   -7.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6845    3.6984   -5.5230 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.3538   -3.1750    1.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2937    2.9971    5.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8179   11.2860    6.2016 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.5988    2.1004   -4.2364 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.9532   -3.3466   -1.0793 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.3146    1.7745    3.2884 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.4885    0.9160   -3.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986   -2.9536   -5.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7876   -1.7099   -5.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4833   -1.0367    0.7145 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.0976    5.0310    5.0562 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.2692   -5.5743   -1.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210    1.2170    1.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3363    3.0415    4.7113 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    1.5866    1.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6222    5.0064    3.7466 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.4225    4.0148    5.5715 N   0  0  0  0  0  1  0  0  0  0  0  0
    7.0449   -7.6713   -2.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6127   -6.4664   -3.5785 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.9388   -2.0273    2.1616 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.3970   -1.3494    5.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0600   -0.8182    9.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    4.2888    2.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028    4.7728   -4.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2835   -0.6856   -9.5942 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0734    4.9498    4.9855 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3811    3.9981   -1.5872 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.8656    4.5395    8.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5970   -2.4051    8.5976 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.1269    0.6900    7.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087    3.2161    2.0092 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2973    2.7996   -4.7921 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3272    6.2702    6.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193    5.6129   -0.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8815    2.6137   -8.1197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903    0.5431    8.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275    2.2923    8.9290 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.0310    3.3521   -6.9070 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.2513    4.2161   -6.5654 N   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0
  1 64  1  0
  2  6  1  0
  2 64  1  0
  3  6  1  0
  3 62  2  0
  3174  1  0
  4 63  1  0
  5  7  1  0
  5 63  1  0
  7 65  1  0
  8  9  1  0
  8 65  1  0
  8 66  2  0
  9 67  1  0
 10 11  1  0
 10 12  1  0
 11 13  1  0
 12 14  1  0
 13 15  1  0
 13 67  1  0
 14 17  1  0
 15 18  1  0
 15 19  2  0
 16 18  1  0
 17 19  1  0
 18 68  2  0
 19 21  1  0
 20 22  2  0
 20 23  1  0
 21 23  1  0
 21 69  2  0
 22 25  1  0
 23 24  2  0
 24 27  1  0
 25 26  1  0
 25 27  2  0
 26 71  1  0
 28 29  1  0
 28 70  2  0
 28 71  1  0
 29 75  1  0
 30 72  2  0
 30 77  1  0
 30 85  1  0
 31 36  1  0
 31 77  1  0
 32 34  1  0
 32 75  1  0
 33 35  1  0
 34 73  1  0
 35 40  2  0
 35 74  1  0
 36 73  1  0
 37 44  1  0
 37 75  1  0
 38 43  2  0
 38 46  1  0
 39 43  1  0
 39 45  2  0
 39 76  1  0
 40 41  1  0
 40 45  1  0
 41 47  1  0
 41 78  1  0
 42 48  1  0
 42 78  1  0
 43 51  1  0
 44 79  2  0
 44 80  1  0
 45 49  1  0
 46 50  2  0
 47 54  1  0
 48 81  1  0
 48 82  2  0
 49 55  1  0
 50 52  1  0
 50 53  1  0
 51 53  2  0
 52 80  1  0
 54 56  1  0
 55 56  1  0
 57 58  1  0
 57 81  1  0
 58 83  1  0
 59 61  1  0
 59 84  1  0
 60 84  1  0
 60194  1  0
 61 83  1  0
 68 69  1  0
 74 76  2  0
 86 90  1  0
 87 90  1  0
 88 91  2  0
 88 92  1  0
 89 92  1  0
 89157  1  0
 91 99  1  0
 92100  2  0
 93105  1  0
 93163  1  0
 94106  1  0
 94163  1  0
 95107  1  0
 95108  1  0
 96101  1  0
 96155  2  0
 96164  1  0
 97 90  1  0
 97102  1  0
 97164  1  0
 98103  1  0
 98156  2  0
 98165  1  0
 99109  2  0
 99165  1  0
100109  1  0
101111  1  0
101159  1  0
102160  1  0
102167  2  0
103112  1  0
103160  1  0
104110  1  0
104158  1  0
104161  2  0
105158  1  0
106162  1  0
107162  1  0
108159  1  0
108166  2  0
110115  1  0
111113  1  0
112114  1  0
113116  1  0
114117  1  0
115169  1  0
116172  2  0
116173  1  0
117170  1  0
118168  2  0
118170  1  0
118171  1  0
119120  1  0
119169  1  0
120121  1  0
120174  1  0
121175  1  0
122123  1  0
122175  1  0
123128  1  0
124129  1  0
125130  2  0
125131  1  0
126129  1  0
127131  1  0
127179  1  0
128176  2  0
128183  1  0
130135  1  0
131136  2  0
132146  1  0
132184  1  0
133140  1  0
133184  1  0
134129  1  0
134143  1  0
134185  1  0
135145  2  0
135186  1  0
136145  1  0
137141  1  0
137147  1  0
138142  1  0
138177  2  0
138185  1  0
139144  1  0
139178  2  0
139186  1  0
140182  1  0
141180  1  0
141187  2  0
142148  1  0
142180  1  0
143181  1  0
143188  2  0
144149  1  0
144181  1  0
146183  1  0
147182  1  0
148150  1  0
149151  1  0
150152  1  0
151154  1  0
152190  2  0
152191  1  0
153189  2  0
153192  1  0
153193  1  0
154192  1  0
195196  2  0
195285  1  0
195194  1  0
197201  1  0
198201  1  0
199202  2  0
199203  1  0
200203  1  0
200268  1  0
202210  1  0
203211  2  0
204216  1  0
204274  1  0
205217  1  0
205274  1  0
206218  1  0
206219  1  0
207212  1  0
207266  2  0
207275  1  0
208201  1  0
208213  1  0
208275  1  0
209214  1  0
209267  2  0
209276  1  0
210220  2  0
210276  1  0
211220  1  0
212222  1  0
212270  1  0
213271  1  0
213278  2  0
214223  1  0
214271  1  0
215221  1  0
215269  1  0
215272  2  0
216269  1  0
217273  1  0
218273  1  0
219270  1  0
219277  2  0
221226  1  0
222224  1  0
223225  1  0
224227  1  0
225228  1  0
226280  1  0
227283  2  0
227284  1  0
228281  1  0
229279  2  0
229281  1  0
229282  1  0
230231  1  0
230280  1  0
231232  1  0
231285  1  0
232286  1  0
233234  1  0
233286  1  0
234239  1  0
235240  1  0
236241  2  0
236242  1  0
237240  1  0
238242  1  0
238290  1  0
239287  2  0
239294  1  0
241246  1  0
242247  2  0
243257  1  0
243295  1  0
244251  1  0
244295  1  0
245240  1  0
245254  1  0
245296  1  0
246256  2  0
246297  1  0
247256  1  0
248252  1  0
248258  1  0
249253  1  0
249288  2  0
249296  1  0
250255  1  0
250289  2  0
250297  1  0
251293  1  0
252291  1  0
252298  2  0
253259  1  0
253291  1  0
254292  1  0
254299  2  0
255260  1  0
255292  1  0
257294  1  0
258293  1  0
259261  1  0
260262  1  0
261263  1  0
262265  1  0
263301  2  0
263302  1  0
264300  2  0
264303  1  0
264304  1  0
265303  1  0
M  RAD  8   1   3   2   3   4   3   5   3   6   3   7   3   9   3  10   3
M  RAD  8  11   3  12   3  13   2  14   3  16   2  17   3  20   2  22   2
M  RAD  8  24   2  26   3  27   2  29   3  31   3  32   3  33   2  34   3
M  RAD  8  36   3  37   3  38   2  41   2  42   3  46   2  47   3  49   3
M  RAD  8  51   2  52   3  53   2  54   3  55   3  56   3  57   3  58   3
M  RAD  8  59   3  60   3  61   3  65   2  71   2  77   2  80   2  81   2
M  RAD  8  85   2  86   2  87   2  88   2  89   3  90   2  91   2  93   3
M  RAD  8  94   3  95   3  97   2 100   2 101   2 103   2 105   3 106   3
M  RAD  8 107   3 109   2 110   3 111   3 112   3 113   3 114   3 115   3
M  RAD  8 117   3 119   3 120   2 121   3 122   3 123   3 124   2 125   2
M  RAD  8 126   2 127   3 129   2 130   2 132   3 133   3 134   2 136   2
M  RAD  8 137   3 140   3 142   2 144   2 145   2 146   3 147   3 148   3
M  RAD  8 149   3 150   3 151   3 154   3 157   2 158   2 159   2 160   2
M  RAD  8 164   2 165   2 170   2 171   3 173   2 174   2 179   2 180   2
M  RAD  8 181   2 183   2 185   2 186   2 191   2 192   2 193   3 194   3
M  RAD  8 197   2 198   2 199   2 200   3 201   2 202   2 204   3 205   3
M  RAD  8 206   3 208   2 211   2 212   2 214   2 216   3 217   3 218   3
M  RAD  8 220   2 221   3 222   3 223   3 224   3 225   3 226   3 228   3
M  RAD  8 230   3 231   2 232   3 233   3 234   3 235   2 236   2 237   2
M  RAD  8 238   3 240   2 241   2 243   3 244   3 245   2 247   2 248   3
M  RAD  8 251   3 253   2 255   2 256   2 257   3 258   3 259   3 260   3
M  RAD  8 261   3 262   3 265   3 268   2 269   2 270   2 271   2 275   2
M  RAD  8 276   2 281   2 282   3 284   2 285   2 290   2 291   2 292   2
M  RAD  6 294   2 296   2 297   2 302   2 303   2 304   3
M  END
$$$$
