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990 8.0622 4.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
992 8.3986 2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
996 3.8315 -2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
997 8.9282 5.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
998 7.9919 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1001 4.2382 -3.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1002 10.1412 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1003 3.3856 -4.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1004 4.8675 -4.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1005 10.7705 0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1006 5.6765 -4.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1007 11.1773 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1008 6.6101 -5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1010 11.3337 -1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1011 7.6046 -5.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1012 12.3695 0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1013 12.3333 -1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1014 11.2292 -2.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1015 7.6308 -6.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1016 8.5923 -5.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1018 10.8708 -3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1020 9.5059 -4.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1021 12.8899 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1022 11.7496 -3.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1023 10.2830 -4.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1024 10.0284 -5.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1025 13.8623 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1102 3.0878 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1104 3.8968 -0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1105 2.5878 -1.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1134 5.0777 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1135 4.4899 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1136 4.4899 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1139 2.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1140 2.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1141 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1169 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1170 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1171 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1173 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1174 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1179 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1217 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1218 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1219 5.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1220 3.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1221 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1222 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1224 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1225 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1226 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1227 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1228 3.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1229 5.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1230 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1231 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1301 CC(C)(C)C1=C(O)C=C(C(=C1)O)C(C)(C)C
1314 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1315 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1316 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1317 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1325 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1328 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1390 CC(=NNC(=N)NN(O)O)C(C)=NNC(=N)NN(O)O
1403 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1405 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1406 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1407 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1408 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1409 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1410 9.7942 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1412 8.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1413 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1414 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1415 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1416 10.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1417 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1418 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1419 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1420 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1421 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1422 3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1424 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1425 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1426 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1427 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1428 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1429 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1430 7.1962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1530 CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C
1543 -0.0187 1.5258 0.0104 C 0 0 0
1544 0.0021 -0.0041 0.0020 C 0 0 0
1546 -0.7475 2.0250 -1.2105 C 0 0 0
1547 0.7309 -0.5033 1.2229 C 0 0 0
1548 -0.4041 3.2405 -1.7715 C 0 0 0
1549 -1.7560 1.2644 -1.7727 C 0 0 0
1550 0.0344 -0.7495 2.3910 C 0 0 0
1551 2.0955 -0.7203 1.1728 C 0 0 0
1552 -1.0728 3.6985 -2.8916 C 0 0 0
1553 -2.4245 1.7223 -2.8924 C 0 0 0
1554 0.7031 -1.2075 3.5111 C 0 0 0
1555 2.7639 -1.1782 2.2925 C 0 0 0
1556 -2.0845 2.9407 -3.4505 C 0 0 0
1557 2.0680 -1.4195 3.4626 C 0 0 0
1618 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1619 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1620 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1621 3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1624 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1625 3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1627 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1628 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1629 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1630 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1631 6.3302 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1632 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1633 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1636 10.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1637 10.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1638 9.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1639 10.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1642 9.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1643 10.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1645 10.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1646 12.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1647 12.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1648 13.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1649 13.5263 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1650 14.3924 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1651 14.3924 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1715 6.3580 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1716 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1717 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1718 6.3580 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1720 7.2641 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1721 7.2641 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1722 8.1953 1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1723 9.1391 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1724 9.1391 -0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1725 8.1953 -1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1726 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1727 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1728 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1729 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1776 NC1=CC2=C(C=C1)C(=O)C3=C(C=CC=C3)C2=O
1789 9.2912 -9.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1791 7.7063 -7.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1792 5.8986 -9.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1793 9.1531 -6.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1794 10.5689 -7.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1795 11.7408 -6.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1796 11.8789 -9.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1797 13.3257 -7.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1799 15.2311 -8.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1800 9.6519 -14.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1802 8.0670 -13.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1803 6.2593 -14.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1804 9.5138 -11.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1805 10.9296 -13.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1806 12.1015 -11.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1807 12.2396 -14.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1808 13.6864 -13.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1809 15.4941 -11.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1844 3.2267 -3.3179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1845 5.6630 -4.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1846 3.2267 -6.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1847 8.4762 -4.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1849 1.8201 -0.8816 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0
1850 3.2267 1.5547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1852 1.8201 -8.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1881 -2.8515 -3.4350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1882 -2.7755 -5.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1883 -0.9895 -6.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1884 1.0245 -5.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1885 0.8725 -3.1944 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1886 -1.0655 -2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1887 -4.3589 -2.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1888 -0.9895 -8.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1889 2.8105 -2.2064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1890 4.3811 -3.5490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1891 6.3698 -2.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1892 3.0131 -0.0150 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1893 4.7865 0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1894 6.6105 -0.3190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1895 8.4725 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1896 9.7011 -1.2564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1897 11.0818 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1899 9.7011 -2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1900 11.3225 -3.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1901 7.5605 1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1902 9.8911 1.7963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1903 10.9298 3.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1904 11.9558 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1905 13.4631 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1906 4.1461 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1909 12.3228 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1910 8.7049 -6.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1911 10.2348 -9.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1955 3.2267 -1.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1956 5.6630 -3.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1957 3.2267 -4.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1958 8.4762 -3.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1960 1.8201 0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1963 1.8201 -7.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1986 3.2267 -1.7721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1987 5.6630 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1988 3.2267 -4.5853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1989 8.4762 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1991 1.8201 0.6642 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0
1994 1.8201 -7.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2020 3.2267 -1.1013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2021 5.6630 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2022 3.2267 -3.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2023 8.4762 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2025 1.8201 1.3350 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0
2028 1.8201 -6.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2052 3.2267 -1.1013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2053 5.6630 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2054 3.2267 -3.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2055 8.4762 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2057 1.8201 1.3350 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0
2060 1.8201 -6.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2084 3.2267 -1.7721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2085 5.6630 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2086 3.2267 -4.5853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2087 8.4762 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2089 1.8201 0.6642 0.0000 C 1 0 0 0 0 0 0 0 0 0 0 0
2092 1.8201 -7.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2115 3.2267 -1.1013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2116 5.6630 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2117 3.2267 -3.9145 0.0000 C 1 0 1 0 0 0 0 0 0 0 0 0
2118 8.4762 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2120 1.8201 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2123 1.8201 -6.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2146 3.2267 -1.1013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2147 5.6630 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2148 3.2267 -3.9145 0.0000 C 1 0 3 0 0 0 0 0 0 0 0 0
2149 8.4762 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2151 1.8201 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2154 1.8201 -6.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2177 3.1142 -1.1013 0.0000 C -1 0 3 0 0 0 0 0 0 0 0 0
2178 5.5505 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2179 3.1142 -3.9145 0.0000 C 1 0 3 0 0 0 0 0 0 0 0 0
2180 8.3637 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2182 1.7076 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2185 1.7076 -6.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2211 2.7100 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2212 5.1463 -2.5079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2213 2.7100 -3.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2214 7.9595 -2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2215 1.3034 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2216 1.3034 -6.3507 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2223 -0.1083 -8.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2224 3.7333 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2225 -1.1333 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2250 0.6601 -0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2251 -0.0449 -1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2252 -0.0215 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2253 0.7062 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2254 1.4118 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2255 1.3849 -1.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2256 0.7125 -3.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2257 1.9905 -2.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2258 1.5692 -3.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2259 1.9751 -4.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2260 2.8022 -4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2261 3.2217 -3.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2262 2.8133 -2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2263 -1.4262 -2.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2264 -1.8475 -3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2265 -1.4415 -4.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2266 -0.6144 -4.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2267 -0.1950 -3.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2268 -0.6034 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2269 0.7226 -4.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2270 0.0176 -5.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2271 0.0410 -5.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2272 0.7687 -6.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2273 1.4743 -5.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2274 1.4474 -5.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2312 -1.1125 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2313 0.4625 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2314 -1.1167 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2316 2.0333 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2317 0.4542 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2318 2.0292 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2319 4.1625 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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