@MOLECULE 600 608 1 SMALL USER_CHARGES @ATOM 1 C1 -2.1072 2.0297 1.0318 C.3 1 noname -0.0650 2 C2 -0.7840 2.8198 1.1163 C.3 1 noname -0.0516 3 C3 -0.1227 3.2088 -0.2552 C.3 1 noname -0.0201 4 C4 0.1617 1.9580 -1.1462 C.3 1 noname -0.0605 5 C5 1.1609 4.1181 -0.1164 C.3 1 noname 0.0903 6 C6 2.2379 3.3455 0.5771 C.2 1 noname 0.0496 7 O1 3.0585 2.6912 -0.1050 O.2 1 noname -0.2899 8 N1 2.2130 3.2776 1.9385 N.3 1 noname -0.0659 9 C7 2.6895 2.2380 2.8103 C.3 1 noname 0.0970 10 C8 1.9169 2.4849 4.0601 C.2 1 noname 0.0502 11 O2 1.0903 1.6220 4.4426 O.2 1 noname -0.2897 12 N2 2.0519 3.6785 4.7295 N.3 1 noname -0.0645 13 C9 1.2558 4.1359 5.8387 C.3 1 noname 0.1135 14 C10 1.3334 5.6330 5.8958 C.2 1 noname 0.0506 15 O3 0.9635 6.2555 4.8732 O.2 1 noname -0.2892 16 N3 1.7494 6.3354 6.9945 N.3 1 noname -0.0654 17 C11 1.7826 7.7737 7.1930 C.3 1 noname 0.0905 18 C12 2.7604 8.1470 8.2760 C.2 1 noname 0.0543 19 O4 3.1668 7.2276 9.0294 O.2 1 noname -0.2883 20 N4 3.1733 9.4450 8.5769 N.3 1 noname -0.0560 21 C13 3.6605 9.7934 9.8858 C.3 1 noname 0.0067 22 C14 3.5873 11.3316 9.9875 C.3 1 noname -0.0379 23 C15 2.8700 11.7638 8.6990 C.3 1 noname -0.0274 24 C16 3.1149 10.6001 7.7131 C.3 1 noname 0.0907 25 C17 4.3453 10.7387 6.8738 C.2 1 noname 0.0494 26 O5 4.3202 10.1670 5.7630 O.2 1 noname -0.2899 27 N5 5.4699 11.4266 7.2679 N.3 1 noname -0.0663 28 C18 6.7639 11.4868 6.6053 C.3 1 noname 0.0878 29 C19 6.7271 12.1700 5.2571 C.2 1 noname 0.0499 30 O6 5.6897 12.8425 5.0486 O.2 1 noname -0.2899 31 N6 7.6146 12.3279 4.1969 N.3 1 noname -0.0649 32 C20 8.9093 11.8014 3.8357 C.3 1 noname 0.1109 33 C21 10.0003 12.7929 3.5588 C.2 1 noname 0.0504 34 O7 9.7370 13.8367 2.9161 O.2 1 noname -0.2893 35 N7 11.3187 12.4410 3.7525 N.3 1 noname -0.0657 36 C22 12.4673 13.0551 3.1283 C.3 1 noname 0.0878 37 C23 12.3265 12.8511 1.6610 C.2 1 noname 0.0495 38 O8 12.2568 13.8418 0.9015 O.2 1 noname -0.2900 39 N8 12.2619 11.5697 1.1875 N.3 1 noname -0.0658 40 C24 12.0288 11.1370 -0.1535 C.3 1 noname 0.0976 41 C25 12.0685 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