cxy0166
     RDKit          3D

266289  0  0  1  0  0  0  0  0999 V2000
    4.1953    9.7855   -7.2874 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.7047   10.4694   -5.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   11.1835    6.1716 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5810   10.9654   -2.7465 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8668   10.1847    7.1987 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8332   11.2601    4.7757 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4181   11.1062   -3.6543 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4026    3.3429   13.5680 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.2373   10.5368   -1.3955 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1541    3.4807   12.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3494    8.7321    6.7905 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5443    9.8829    4.0669 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1562    9.7358   -0.5856 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9265   11.4918   -2.7812 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6412   14.6215   -2.5343 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8236    9.7307    2.3295 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3691   13.2621   -3.1822 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7687    5.8018    9.6425 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3591   15.3814   -2.9712 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2512    4.2474    9.9928 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7193    6.0805    8.3280 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9852    8.0062   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4723   -1.9812    5.3814 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.4470   -1.7490    1.3405 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9413   -2.8470    2.3475 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7632    2.9026    9.1970 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5523    4.7903    8.4056 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7705   -3.0798    4.3384 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.5108    0.3503    0.2739 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.3079    3.5837   -0.5382 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.9324    4.8209    8.9755 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0973    5.3498   -0.3375 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6495   -0.4500   10.6232 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6213    1.4153   -0.2620 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5656   -0.9082   11.4607 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4502   -0.0022    9.0158 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.8008   -1.0390    8.1487 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8416   -1.1535   10.7359 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0655   -1.4399   11.6007 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.3271   -7.0685  -14.1968 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2565  -11.8107   -5.3824 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.3163   -7.3739  -13.0501 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5653   -5.6294  -14.5406 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.3756  -10.6806   -6.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186   -2.5704    5.1377 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.9595   -3.2251    4.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4703   -3.2387    3.8181 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4521   -3.5367   -3.3179 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9974   -4.5377  -13.6593 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3486   -6.4603  -11.7150 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1779   -8.6236   -8.1177 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3984   -4.1231   -2.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909   -3.1237  -14.2338 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1364   -3.7454    2.2979 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6295   -8.4942   -6.5357 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.0534   -7.3479   -8.7658 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3422   -3.7060    3.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471   -4.2760    0.7374 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7947   -4.4750    0.7402 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.8484   -7.0828   -5.6425 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.9983   -6.9197   -7.5231 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9086   -3.3204   -0.3130 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.5785   -3.8856    2.1528 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2169    2.5058   -3.6879 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4608   -7.5011   -7.5519 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1455    2.5636   -2.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5476   -1.8552    0.2818 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4531   -2.7855    2.4434 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.9644   -3.0831    2.7194 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2783   -4.9886   -1.9260 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.0905   -6.1844   -3.2056 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4472    0.7591   -0.6505 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1360    1.9959   -1.5888 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8813    0.3180   -0.0017 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.4235   -6.9292   -3.3571 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.8270    1.5087    0.1677 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4398    2.5593   -1.9715 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.8197   -4.6178   -2.7540 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.7655   -6.1182   -3.0093 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9010    1.8203    1.4822 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2850   -3.8103   -2.7890 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4305    2.7461    4.9033 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.9526    3.2341    5.1505 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0501    2.1401    3.3541 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.0147    2.7803    4.1449 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5251    1.9163    3.0011 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.4903    1.3158    1.9132 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6923   11.0838   -6.3465 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8057   10.9390    5.9831 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.7172   11.4128   -3.0685 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.3533   10.6713    8.3132 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.9649   12.2271    4.7694 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.5476   10.5347   -4.9311 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.4582   15.5217   -1.9958 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.2614    3.0597   12.5474 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    6.5289   10.6728 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.4543    9.9986    1.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022   16.3588   -3.1263 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.4242    8.6163    5.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9495   10.7498   -1.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4982    4.1347   11.1745 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.4407    7.5677    8.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597   10.8244   -3.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065   13.4358   -4.4577 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.7652   -1.0611   10.9066 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.1788    8.0260   -1.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669   -3.7537    3.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.5198    1.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867   -1.0900   12.7441 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.6384    1.6344    8.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    3.4126    8.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002    2.2810   -0.7972 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786    4.8013    9.5495 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8614   -7.9863  -14.9155 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.2133   -1.6707   12.5718 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8442   -1.4386    9.2451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462   -2.1316    6.6964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -7.7474  -13.4746 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.5561   -9.7831   -8.5268 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.2810   -5.1995  -15.5467 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3313  -11.3679   -7.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919   -3.3222    5.7903 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.4113   -4.0680    4.2402 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6470   -5.3914   -2.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2739   -1.8278  -14.9385 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.8092   -9.4862   -5.9643 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4909   -5.5833    0.6507 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6899   -7.3749  -10.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7454   -4.9977  -12.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -3.7692    2.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4841   -3.2828   -1.5712 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6637   -4.3953    3.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732    2.8437   -1.4556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426   -5.0381   -0.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629   -6.8244   -3.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169   -6.6519   -6.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021   -0.2561   -0.9012 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.7972   -8.2087   -7.6745 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0706    1.8674   -2.5484 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0894   -1.6636    1.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4558   -1.0878   -0.3507 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844   -4.1550   -2.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -8.2170   -3.1618 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.3919   -3.4968    3.0173 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.0053    2.0370    5.8471 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.6051    2.5055   -0.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4387    3.6087    6.3213 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.7756   -3.4062   -2.7103 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.7097   -6.7298   -2.3568 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5964    2.1602    2.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2396    3.2140    4.2061 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.1884    1.9304    2.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218    6.9067   -0.0059 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.8673    1.4123    5.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5650    0.1916    4.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5147   -1.5273    3.0868 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.3300    3.2438    5.0257 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.5964   -2.1771    1.8881 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7249   -0.3216    3.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1139    2.6612    4.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9193    4.2892    4.3157 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.8680   -1.5844    0.8365 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.2915    4.6568    3.1138 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.0037    0.1906    2.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3312    3.2564    3.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -0.4895    1.1137 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.0730    4.0296    2.5833 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2375    1.4599    2.5125 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.4256    0.8035   -8.4499 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.8985    3.8388    3.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5359    1.2305   -6.9536 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7815    4.3164    1.9521 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.9956    6.2727   -0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1553    5.5099   -1.7300 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0024    2.7235   -5.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271   -1.9018   -8.3350 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1906    5.3049   -2.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211    3.9709    2.5123 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8646    4.5977    1.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7055    5.8209    0.2636 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9261    4.0801   -4.8478 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8425    0.9298   -7.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0001   -0.6678   -7.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -2.7810   -8.1500 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3447    5.2120   -5.6378 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9448   -0.3569   -6.7917 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5920   -2.3493   -7.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322   -1.1694   -6.5961 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2126   -4.2450   -7.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3826    6.5194   -6.0923 C   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8098    5.4515   -6.3947 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0482   -3.0272   -7.5930 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.6616   -8.6090    3.7630 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5530   -9.0625   -1.0734 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.6592   -7.4223   -5.9925 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1666   -8.2148    6.8605 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0586   -5.5354   -8.8763 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.6871   -8.9894    4.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -8.3824    2.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7789   -8.6054    0.4781 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2672   -9.1956   -2.7915 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0452   -7.9027   -4.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4252   -6.2997   -6.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1965   -7.6835    7.1765 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9950   -6.3978    7.3016 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9104   -4.2815   -8.7976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6853   -8.9208    4.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048   -8.4023    2.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838   -8.8710   -3.4761 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.1853   -7.2707   -4.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337   -5.7278   -5.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7126   -2.9798   -9.4733 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0450   -8.6063    3.0850 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.7793   -6.1390   -4.6583 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3689   -6.4279    6.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8366   -9.3374    5.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829   -4.9962   -6.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6442   -2.0544   -8.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583   -7.6255    6.2910 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6540   -5.6803    7.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5794   -1.5383   -9.8846 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.1508   -2.7906   -7.7128 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.8257   -9.7630    0.4431 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.6886   -0.6770   -8.9485 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.8116   -0.2341    6.7278 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003   -0.5544    5.7097 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0757    1.0787    6.6263 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0562    2.7235    2.9502 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9407    7.4017   -0.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2065    2.1590   -5.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2626    4.0733   -3.4932 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3034   -0.0170   -8.0136 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1914    5.7224    0.7807 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.3534    4.6818    3.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1718    5.5630   -0.3854 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9366    2.5375   -6.5149 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.5756    4.0913    2.4699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1161    6.1531   -2.9207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1394    1.7369   -6.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1007   -3.6177   -8.2695 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -3.3875   -6.9447 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7199   -6.6099   -9.0676 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.0640   -9.1633    6.1590 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.3019   -7.9099    1.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982   -5.5949   -7.8868 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710   -9.1893   -4.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519   -8.0968    8.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8851   -4.5306   -9.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2144   -8.4939    6.3539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -8.4017    0.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8057   -7.8588   -3.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4445   -3.9136   -7.4482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1977  -10.5357    5.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8387   -5.4507   -6.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6036    3.5295   -3.0395 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8876    4.0048   -4.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602    3.8703   -4.8897 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4273    4.8779   -4.9358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7727   -4.8880    8.3101 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1074   -4.3655    8.6861 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2250   -4.6582    7.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0554   -5.3595    6.6800 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7511   -5.8675    6.3410 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.6149   -4.4842    8.3300 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.8186   -4.3517    8.8972 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1541   -5.5547    9.5238 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2 88  2  0
  2 93  1  0
  3  5  1  0
  3  6  1  0
  3 89  1  0
  4  7  1  0
  4  9  1  0
  4 90  1  0
  5 11  1  0
  5 91  1  0
  6 12  1  0
  6 92  1  0
  7 14  1  0
  7 93  1  0
  8 10  1  0
  9 13  1  0
 10 95  2  0
 10101  1  0
 11 99  1  0
 11102  1  0
 12 16  1  0
 12 99  1  0
 13 22  1  0
 13 97  1  1
 13100  1  0
 14 17  1  0
 14100  1  0
 14103  1  6
 15 17  1  0
 15 19  1  0
 15 94  1  0
 16 97  1  0
 17104  1  0
 18 20  1  0
 18 21  1  0
 18 96  1  0
 19 98  1  0
 20 26  1  0
 20101  1  0
 21 27  1  0
 21102  1  0
 22106  2  0
 22153  1  0
 23 28  1  0
 24 25  1  0
 24108  1  0
 25107  1  0
 26110  1  0
 26111  1  0
 27 31  1  0
 27111  1  0
 28107  1  0
 29 34  1  0
 29108  1  0
 30 32  1  0
 30112  1  0
 31113  1  0
 33 35  1  0
 33 36  1  0
 33105  1  0
 34112  1  0
 35 38  1  0
 35109  1  0
 36 37  1  0
 36110  1  0
 37116  1  0
 37117  1  0
 38 39  1  0
 38116  1  0
 39115  1  0
 40 42  1  0
 40 43  1  0
 40114  1  0
 41 44  1  0
 42 50  1  0
 42118  1  0
 43 49  1  0
 43120  1  0
 44121  2  0
 44126  1  0
 45 46  1  0
 45 47  1  0
 45117  1  0
 46 57  2  0
 46122  1  0
 47 54  1  0
 47123  1  0
 48 52  1  0
 49 53  1  0
 49129  1  0
 50128  1  0
 50129  1  0
 51 55  1  0
 51 56  1  0
 51119  1  0
 52124  2  0
 52131  1  0
 53125  1  0
 54 58  1  0
 54130  1  0
 55 60  1  0
 55126  1  0
 56 61  1  0
 56128  1  0
 57130  1  0
 57132  1  0
 58134  1  0
 59 62  1  0
 59 63  1  0
 59127  1  0
 60135  1  0
 60136  1  0
 61 65  1  0
 61136  1  0
 62 67  1  0
 62131  1  0
 63 68  1  0
 63132  1  0
 64 66  1  0
 65138  1  0
 66133  2  0
 66139  1  0
 67140  1  0
 67141  1  0
 68 69  1  0
 68140  1  0
 69144  1  0
 70 71  1  0
 70134  1  0
 70142  1  0
 71 75  1  0
 71135  1  0
 72 73  1  0
 72 74  1  0
 72137  1  0
 73 77  1  0
 73139  1  0
 74 76  1  0
 74141  1  0
 75 79  1  0
 75143  1  0
 76 80  1  0
 76146  1  0
 77146  1  0
 77255  1  0
 78 79  1  0
 78 81  1  0
 78142  1  0
 79149  1  0
 80150  1  0
 81148  1  0
 82 83  1  0
 82 84  1  0
 82145  1  0
 83 85  1  0
 83147  1  0
 84150  1  0
 84152  1  0
 85 86  1  0
 85151  1  0
 86 87  1  0
 86152  1  0
153 32  1  0
154155  2  0
154160  1  0
154227  1  0
155159  1  0
155226  1  0
156158  2  0
156159  1  0
157160  2  0
157161  1  0
158162  1  0
159164  2  0
160165  1  0
161163  2  0
162166  2  0
163167  1  0
164166  1  0
164168  1  0
165167  2  0
165228  1  0
168228  1  0
170178  1  0
170228  1  0
170234  2  0
171169  1  0
171182  1  0
171236  1  0
172178  1  0
172179  1  0
173180  1  0
173229  2  0
173235  1  0
174177  1  0
174235  1  0
175230  2  0
175236  1  0
176183  2  0
176184  1  0
177231  1  0
177238  2  0
179233  1  0
179237  2  0
180233  1  0
181175  1  0
181185  1  0
181231  1  0
182232  1  0
182239  2  0
183186  1  0
183232  1  0
184187  2  0
185190  1  0
185191  1  0
186188  2  0
187188  1  0
187192  1  0
189240  1  0
189241  2  0
189245  1  0
192240  1  0
193198  2  0
193199  1  0
194200  1  0
194201  1  0
195202  2  0
195203  1  0
196204  1  0
196243  1  0
197206  1  0
197242  1  0
197245  1  0
198207  1  0
198243  1  0
199208  2  0
199244  1  0
201246  1  0
202210  1  0
202246  1  0
203211  2  0
203245  1  0
204205  1  0
204247  1  1
204249  1  0
205215  1  0
206212  1  0
206248  1  6
206252  1  0
207213  2  0
207216  1  0
208213  1  0
208250  1  0
209251  1  0
210214  2  0
210251  1  0
211214  1  0
211217  1  0
212218  1  0
215219  2  0
215220  1  0
216249  1  0
216253  2  0
217252  1  0
217254  2  0
218221  1  0
218222  1  0
218224  1  0
219249  1  0
220259  2  0
221224  1  0
222252  1  0
223250  1  0
225226  1  0
225227  2  0
226 23  1  0
244200  1  0
255256  1  0
256257  1  0
258256  2  0
259260  1  0
260261  2  0
261262  1  0
262263  2  0
263220  1  0
264261  1  0
264265  1  0
265266  1  0
M  RAD  8   1   2   3   2   4   2   5   2   6   2   7   2   8   2   9   3
M  RAD  8  11   2  12   2  15   2  16   3  17   2  18   2  19   3  20   2
M  RAD  8  21   2  23   3  24   3  25   3  26   2  27   2  28   3  29   3
M  RAD  8  30   3  31   3  32   3  33   2  34   3  35   2  36   2  37   2
M  RAD  8  38   2  39   3  40   2  41   2  42   2  43   2  45   2  47   2
M  RAD  8  48   2  49   2  50   2  51   2  53   3  54   2  55   2  56   2
M  RAD  8  58   3  59   2  60   2  61   2  62   2  63   2  64   2  65   3
M  RAD  8  67   2  68   2  69   3  70   2  71   2  72   2  73   2  74   2
M  RAD  8  75   2  76   2  77   2  78   2  79   2  80   3  81   3  82   2
M  RAD  8  83   2  84   2  85   2  86   2  87   2  89   2  90   2  91   2
M  RAD  8  92   2  93   2  94   2  96   2  98   2 101   2 104   2 105   2
M  RAD  8 109   2 113   2 114   2 115   2 118   2 119   2 120   2 122   2
M  RAD  8 123   2 125   2 126   2 127   2 131   2 137   2 138   2 139   2
M  RAD  8 143   2 144   2 145   2 147   2 148   2 149   2 151   2 153   2
M  RAD  8 156   2 157   2 158   2 161   2 162   2 163   2 166   2 167   2
M  RAD  8 168   3 169   2 171   2 172   3 174   3 176   2 178   3 180   3
M  RAD  8 181   2 184   2 185   2 186   2 188   2 190   2 191   2 192   3
M  RAD  8 193   2 194   3 195   2 196   3 197   2 200   3 201   3 205   3
M  RAD  8 209   2 212   3 213   2 214   2 219   2 221   3 222   3 223   2
M  RAD  8 224   3 231   2 232   2 233   2 235   2 236   2 242   2 243   2
M  RAD  8 255   2 257   2 259   2 260   2 262   2 263   2 264   3 266   2
M  END
$$$$
