SC0050
     RDKit          3D

243250  0  0  1  0  0  0  0  0999 V2000
    3.5297    4.4732    4.7828 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3465   -0.6022    4.7626 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.7601   -2.4158    4.6231 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4747   -1.3708    3.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    5.4518    4.6821 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0983    0.4738    4.2652 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7244    5.4141    3.5696 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7397    3.0738    3.0787 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0406    0.7853    2.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690   -1.0647    2.5874 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3642    2.1178    4.6385 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.8514    4.0880    2.9378 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2401   -0.0329    2.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2905    1.8661    3.3273 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2157    0.1621    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1464   -0.4513   -1.2360 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.3509    1.6081    0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5865    1.2431    2.9375 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0678    0.1070    3.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -1.1270   -2.5201 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6773    0.6876   -0.5493 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6683   -2.3322    4.1617 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0874   -3.8219    4.3916 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.2316   -5.0523    4.2448 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8132   -5.5855    4.1559 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.6006   -1.2814    0.4201 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8705   -3.4510    0.9591 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.1540   -5.2820    3.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4764   -5.1079    4.0303 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9917   -0.8420    4.2191 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1891    1.1027    4.4760 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5415    5.8625    3.8567 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4504   -3.5517   -9.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6877   -4.8629    1.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0923   -5.9419    3.0052 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3593   -3.6315    3.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3620   -1.7320    4.3697 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2752    4.7396    4.6120 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.3193   -0.9643   -0.9314 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3576    2.5737    5.0510 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1590   -6.8683    3.6135 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6950   -4.6352   -9.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7127   -5.1489   -5.2668 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5447   -5.5709   -7.6415 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2427   -5.6518   -8.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2756   -4.3130   -9.0660 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.4464   -8.1346    4.4238 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8238   -6.0793   -5.2457 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.7935   -6.4083   -7.6942 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4132   -5.2671   -8.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4325   -6.6384   -7.9209 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1561   -6.9374   -6.4276 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0414   -6.4180   -7.8264 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0805   -4.8010   -8.0782 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9396   -3.5881   -8.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    4.3172    5.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5323    6.4949    5.4235 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.7092    3.3413    3.9379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604    2.0586    6.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5523    6.3322    3.3323 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.4418    2.4240    0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    1.8340    2.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.2985   -3.8423 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0610    3.5853    2.7583 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.8324   -0.9605    3.4776 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.0007    0.1855    0.0763 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.3567    0.2664    0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1421    1.2730    1.6140 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7832    0.2583    5.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318   -4.3441    4.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0803   -3.3816  -11.1753 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7264   -5.4055    1.8195 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4931   -2.7572    4.5042 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4260   -3.0391   -9.2347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699    3.7803    5.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0367    7.8992    3.1037 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2569   -2.2043    1.3393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3652   -5.8836    3.9779 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.9229   -0.1152    3.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359    6.8541    3.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7267   -4.8317   -4.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1973   -4.8567   -6.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5917   -5.9234   -8.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4225   -5.5454    0.3699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623   -3.5169    2.3185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9922   -9.3286    5.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867   -3.8464   -7.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6514   -6.0359   -4.2845 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.5821   -6.2191   -8.6892 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.9691   -8.1915   -6.2934 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.6264   -4.3862   -8.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147    3.8837    7.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659    4.7469    5.8492 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0716    3.1169    6.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3493    1.0322    6.5455 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8931   -5.7414   -3.7888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821   -3.6318   -3.6374 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6961  -10.1813    4.4300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7642   -9.4708    6.3368 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7578    8.8113    2.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853    8.9198    1.0556 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7164    9.9309    2.4445 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0098   10.2371    3.1554 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0864    9.6474    3.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8136    8.9758    4.8572 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1404    9.1034    2.8154 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5335    7.9325    6.1310 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7028    6.7822    7.1087 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4221    5.8175    7.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545    5.2600    8.9064 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9574    6.4239    8.0996 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.1545    4.6067   10.0999 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3580    3.4595   11.1678 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -1.6978   -4.2815 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.0679   -1.9549   -4.9216 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0614   -2.4131   -5.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057   -1.6697   -6.2067 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0210   -1.1973   -7.0214 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1415   -0.8000   -7.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1098   -1.0890   -6.6879 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2902   -0.6138   -5.8475 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1435    0.3840   -5.4066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4843    0.0651   -4.1453 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8268    0.0170   -2.6596 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.8825   -0.3758   -1.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891    1.2326    3.3418 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.5570   -8.0636    3.0355 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.4622    0.1186    3.9721 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4261   -3.4282    9.7979 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.2381   -1.8263   10.8033 C   0  0  0  0  0  1  0  0  0  0  0  0
    9.2872   -1.9076    5.3104 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.7967   -2.4744    9.3494 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.0763   -1.1244    4.6960 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5898   -4.4906   -1.5476 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4575   -6.5690    2.9439 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4262   -8.0594    1.5318 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.8273   -1.9896    4.4272 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9114   -3.7377    2.7050 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5520   -6.7854    0.8022 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5780   -6.0188   -1.4934 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.1661   -7.2293   -3.7991 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6900   -5.4376   -3.9603 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1852   -5.2126    8.6224 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.8857   -2.8485    8.4181 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9719   -1.0888    6.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -4.8539    1.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994   -6.7046   -0.6556 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9110   -6.8465   -2.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964   -1.7540    8.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0632   -1.1646    7.8190 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6729   -2.5742    3.0891 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8445   -7.9774   -2.6287 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.4713   -5.9144   -3.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2877   -4.2320   -3.5359 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7132   -3.4457   -2.6168 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.7169   -0.3670    8.9283 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6266   -3.5604    5.8419 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.2801   -9.4121   -2.0777 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.1625   -5.0487   -2.6224 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.1802   -0.7234    9.4961 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.8250   -2.7442    2.0798 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.3692   -8.0002   -1.1537 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4401   -3.8057   -2.2111 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.0347    0.3352   10.1620 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.2049   -8.1198   -4.7184 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.8359   -0.1921    6.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -7.5607   -1.9443 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.2244   -2.2221    8.1201 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.6361   -5.8011    1.8127 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194   -4.0711    7.7831 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0130   -2.1962    5.5844 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9704   -7.9029   -1.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802   -7.0778   -3.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.5779    8.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5043   -2.1211    2.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372   -5.1444    1.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484   -1.2960   -1.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131   -0.2083   -2.6666 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1575    0.9977   -3.6309 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5199    2.1896   -4.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598    2.4633   -5.2345 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6026    3.0027   -6.7041 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.5034    3.5018   -7.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405    2.5027   -8.7810 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1985    1.5571   -9.9767 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2422    0.8985  -11.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2710   -0.4108  -11.1219 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.2413   -1.9015  -11.4525 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2188   -2.8651    5.8170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -4.0400    6.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437   -5.1158    5.6841 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130    7.2198   -7.1507 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9507    3.9323   -1.7890 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.1169    6.1726   -6.2576 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.7588   -1.8357  -10.9757 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.9080   -0.7477  -10.4705 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.6764    5.5887   -5.8517 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.5705   -1.2572   -9.7997 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1926    5.1533   -5.5403 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2419    2.7138    1.4538 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6783    3.0719   -1.9188 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8787    4.8861   -1.3929 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.6471    3.8094   -5.1144 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.7991    3.5978   -3.2441 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4572    4.5928   -1.2368 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.2711    3.9177    0.4609 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0188    6.0144   -1.2524 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3120    6.7336   -0.4492 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2822   -1.1469   -7.8737 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.4992   -1.6569   -8.4421 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3664    2.0193   -5.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    3.1995   -3.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9549    4.5628    0.1734 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.5318    4.3570   -0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085   -1.0141   -7.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    0.8525   -6.0949 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.0332    3.1392   -3.8683 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5755    6.2149   -1.4194 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9640    6.8768   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2022    7.7299   -0.0407 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6839    8.9635    0.3561 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1641    0.3684   -5.6711 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5215    3.4981   -7.3597 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0684    7.5247   -2.1457 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4493    8.0157    0.2062 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6149   -0.2691   -4.3458 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.3285    1.2823   -4.9287 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6926    5.7417    1.2052 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.2857    9.0279    0.5882 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.4248    0.9242   -6.4623 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4648    5.5550   -2.3613 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.7480    2.1738   -4.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    5.6001   -0.7353 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.1617    0.1925   -7.0735 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.3594    3.3701   -1.8669 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001   -2.1923   -7.9766 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    2.9962   -5.9676 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9237    4.5738    1.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310    3.4523   -0.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5381   -1.6728   -7.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    1.7517   -3.8970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1123    2.9531   -4.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8145    2.9594   12.1051 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  1 56  1  0
  1 58  1  0
  2  4  2  0
  2  6  1  0
  3  4  1  0
  3189  1  0
  4 10  1  0
  5  7  1  0
  5 57  1  0
  6  9  2  0
  7 12  1  0
  7 60  1  0
  8 12  1  0
  8 58  1  0
  8 62  1  0
  9 13  1  0
  9 62  1  0
 10 13  2  0
 11 14  1  0
 11 59  1  0
 12 64  1  0
 13 15  1  0
 15 66  1  0
 15 67  2  0
 16 20  1  0
 16 66  1  0
 17 21  1  0
 17 61  2  0
 17 68  1  0
 18 14  1  0
 18 19  1  0
 18 68  1  0
 19 65  1  0
 19 69  2  0
 20 63  1  0
 22 23  1  0
 22 65  1  0
 23 24  1  0
 24 25  1  0
 26 39  1  0
 26 77  1  0
 27 34  1  0
 27 77  1  0
 28 35  1  0
 28 70  2  0
 28 78  1  0
 29 25  1  0
 29 36  1  0
 29 78  1  0
 30 37  1  0
 30 79  1  0
 31 40  1  0
 31 79  1  0
 32 38  1  0
 32 80  1  0
 33 42  1  0
 33 71  1  0
 33 74  2  0
 34 72  1  0
 34 84  2  0
 35 41  1  0
 35 72  1  0
 36 73  1  0
 36 85  2  0
 37 73  1  0
 38 75  1  0
 39177  1  0
 40 75  1  0
 41 47  1  0
 42 45  1  0
 42 46  2  0
 43 48  1  0
 43 81  1  0
 43 82  1  0
 44 49  1  0
 44 82  1  0
 44 83  1  0
 45 51  2  0
 45 83  1  0
 46 50  1  0
 47 86  1  0
 48 52  1  0
 48 88  1  0
 49 52  1  0
 49 89  1  0
 50 53  2  0
 50 54  1  0
 51 53  1  0
 52 90  1  0
 54 87  1  0
 55 87  1  0
 55 91  2  0
 56 92  2  0
 56 93  1  0
 59 94  2  0
 59 95  1  0
 63114  1  0
 71188  1  0
 76 80  1  0
 76100  2  0
 81 96  2  0
 81 97  1  0
 86 98  2  0
 86 99  1  0
100101  1  0
100102  1  0
102103  1  0
103104  1  0
104105  2  0
104106  1  0
105107  1  0
107108  1  0
108109  1  0
109110  2  0
109111  1  0
110112  1  0
112113  1  0
114115  1  0
115116  1  0
116117  1  0
117118  1  0
118119  1  0
119120  1  0
120121  1  0
121122  1  0
122123  1  0
123124  1  0
124125  1  0
125 21  1  0
126128  1  0
127135  1  0
127136  1  0
128133  1  0
129132  1  0
130132  1  0
131133  1  0
135169  1  0
137133  1  0
137151  1  0
137171  1  0
138146  1  0
139136  1  0
139147  1  0
139169  1  0
140134  1  0
140147  1  0
140148  1  0
141152  1  0
141153  1  0
141165  1  0
142153  2  0
142154  1  0
143170  1  0
144132  1  0
144149  1  0
144170  1  0
145166  2  0
145171  1  0
146169  1  0
146176  2  0
147172  1  0
148167  1  0
148173  2  0
149168  1  0
149174  2  0
150145  1  0
150156  1  0
150168  1  0
151138  1  0
151175  1  0
152158  1  0
152167  1  0
153159  1  0
154155  2  0
155163  1  0
156160  1  0
156164  1  0
157171  1  0
159163  2  0
161175  1  0
162172  1  0
177178  1  0
178179  1  0
179180  1  0
180181  1  0
181182  1  0
182183  1  0
183184  1  0
184185  1  0
185186  1  0
186187  1  0
187188  1  0
189190  1  0
190191  2  0
190170  1  0
192194  1  0
193201  1  0
193202  1  0
194199  1  0
195198  1  0
196198  1  0
197199  1  0
201235  1  0
203199  1  0
203217  1  0
203237  1  0
204212  1  0
205202  1  0
205213  1  0
205235  1  0
206200  1  0
206213  1  0
206214  1  0
207218  1  0
207219  1  0
207231  1  0
208219  2  0
208220  1  0
209236  1  0
210198  1  0
210215  1  0
210236  1  0
211232  2  0
211237  1  0
212235  1  0
212242  2  0
213238  1  0
214233  1  0
214239  2  0
215234  1  0
215240  2  0
216211  1  0
216222  1  0
216234  1  0
217204  1  0
217241  1  0
218224  1  0
218233  1  0
219225  1  0
220221  2  0
221229  1  0
222226  1  0
222230  1  0
223237  1  0
225229  2  0
227241  1  0
228238  1  0
236 55  1  0
243113  1  0
M  RAD  8   1   2   2   2   3   3   5   2   6   2   7   2   8   2  10   2
M  RAD  8  11   3  12   2  14   3  16   3  18   2  20   3  21   3  22   3
M  RAD  8  23   3  24   3  25   3  26   3  27   3  29   2  30   3  31   3
M  RAD  8  32   3  35   2  37   3  38   3  39   3  40   3  41   3  43   2
M  RAD  8  44   2  46   2  47   3  48   2  49   2  51   2  52   2  53   2
M  RAD  8  54   3  57   2  60   2  64   2  65   2  66   2  68   2  71   2
M  RAD  8  72   2  73   2  78   2  88   2  89   2  90   2  93   2  95   2
M  RAD  8  97   2  99   2 101   2 102   3 103   3 105   2 106   2 107   3
M  RAD  8 108   3 110   2 111   2 112   3 114   3 115   3 117   3 118   3
M  RAD  8 120   3 121   3 123   3 124   3 126   2 127   3 128   3 129   2
M  RAD  8 130   2 131   2 132   2 133   2 134   2 135   3 136   3 137   2
M  RAD  8 138   3 139   2 140   2 141   2 142   2 143   2 144   2 147   2
M  RAD  8 150   2 151   2 152   2 154   2 155   2 156   2 157   2 158   2
M  RAD  8 159   2 160   2 161   2 162   2 163   2 164   2 165   2 167   2
M  RAD  8 168   2 178   3 179   3 181   3 182   3 184   3 185   3 187   3
M  RAD  8 188   3 192   2 193   3 194   3 195   2 196   2 197   2 198   2
M  RAD  8 199   2 200   2 201   3 202   3 203   2 204   3 205   2 206   2
M  RAD  8 207   2 208   2 209   2 210   2 213   2 216   2 217   2 218   2
M  RAD  8 220   2 221   2 222   2 223   2 224   2 225   2 226   2 227   2
M  RAD  7 228   2 229   2 230   2 231   2 233   2 234   2 243   2
M  END
$$$$
