@MOLECULE DB03716 31 33 1 SMALL USER_CHARGES @ATOM 1 F1 5.8314 -0.1657 1.0342 F 1 noname -0.2479 2 C1 4.6238 0.0403 0.4187 C.3 1 noname 0.1184 3 C2 3.9638 -1.3086 0.1259 C.3 1 noname 0.1170 4 O1 3.7628 -2.0040 1.3323 O.3 1 noname -0.3480 5 C3 2.5848 -1.0775 -0.4957 C.3 1 noname 0.1130 6 C4 2.7105 -2.8949 1.0037 C.3 1 noname 0.1590 7 O2 2.6128 -1.4565 -1.8639 O.3 1 noname -0.3873 8 C5 1.6775 -2.0303 0.2775 C.3 1 noname 0.1258 9 N1 2.2883 -3.6244 2.1589 N.3 1 noname 0.0257 10 O3 0.9463 -2.8340 -0.6366 O.3 1 noname -0.3857 11 C6 3.1033 -4.3937 2.9151 C.2 1 noname 0.1238 12 C7 1.0521 -3.6691 2.7418 C.2 1 noname -0.0362 13 N2 4.4275 -4.7132 2.7925 N.2 1 noname -0.2441 14 C8 2.3113 -4.8473 3.9802 C.2 1 noname 0.0254 15 N3 1.0610 -4.4155 3.8593 N.2 1 noname -0.2172 16 C9 5.0180 -5.4893 3.7610 C.2 1 noname 0.0503 17 C10 2.9241 -5.6364 4.9725 C.2 1 noname 0.0729 18 N4 4.2507 -5.9162 4.8179 N.2 1 noname -0.2575 19 N5 2.2329 -6.0937 6.0255 N.3 1 noname -0.1031 20 H1 4.0210 0.5699 1.1565 H 1 noname 0.0652 21 H2 4.8712 0.5197 -0.5284 H 1 noname 0.0652 22 H3 4.6114 -1.9311 -0.4916 H 1 noname 0.0660 23 H4 2.2528 -0.0395 -0.5134 H 1 noname 0.0657 24 H5 3.0390 -3.7311 0.3863 H 1 noname 0.0853 25 H6 2.6142 -2.4141 -1.9308 H 1 noname 0.2106 26 H7 0.9034 -1.5722 0.8931 H 1 noname 0.0674 27 H8 0.3893 -3.4461 -0.1501 H 1 noname 0.2107 28 H9 0.1627 -3.1679 2.3599 H 1 noname 0.1016 29 H10 6.0716 -5.7601 3.6924 H 1 noname 0.1062 30 H11 2.7037 -6.2661 6.9023 H 1 noname 0.1258 31 H12 1.2412 -6.2661 5.9423 H 1 noname 0.1258 @BOND 1 1 2 1 2 3 2 1 3 3 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 1 9 6 8 1 10 8 10 1 11 9 11 1 12 9 12 1 13 11 13 2 14 11 14 1 15 12 15 2 16 13 16 1 17 14 17 2 18 14 15 1 19 16 18 2 20 17 19 1 21 17 18 1 22 2 20 1 23 2 21 1 24 3 22 1 25 5 23 1 26 6 24 1 27 7 25 1 28 8 26 1 29 10 27 1 30 12 28 1 31 16 29 1 32 19 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1