@MOLECULE DB07170 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 6.4118 -0.9933 0.7994 F 1 noname -0.2479 2 C1 5.3996 -1.9171 0.8398 C.3 1 noname 0.1183 3 C2 4.2205 -1.4188 0.0018 C.3 1 noname 0.1143 4 O1 3.7581 -0.1910 0.5234 O.3 1 noname -0.3509 5 C3 3.0498 -2.3990 0.1333 C.3 1 noname 0.0870 6 C4 2.4156 -0.1558 0.0666 C.3 1 noname 0.1330 7 O2 2.8631 -3.0813 -1.0979 O.3 1 noname -0.3900 8 C5 1.8340 -1.5201 0.4176 C.3 1 noname 0.0195 9 N1 1.7203 0.9447 0.6319 N.3 1 noname 0.0247 10 C6 1.5585 1.2100 1.9400 C.2 1 noname 0.1237 11 C7 1.1772 1.9534 -0.0825 C.2 1 noname -0.0368 12 N2 1.9261 0.4934 3.0430 N.2 1 noname -0.2443 13 C8 0.9124 2.4448 2.0006 C.2 1 noname 0.0252 14 N3 0.6705 2.8842 0.7618 N.2 1 noname -0.2174 15 C9 1.6695 1.0116 4.2830 C.2 1 noname 0.0503 16 C10 0.6553 2.9793 3.2832 C.2 1 noname 0.0729 17 N4 1.0539 2.2347 4.3673 N.2 1 noname -0.2576 18 N5 0.0477 4.1638 3.4361 N.3 1 noname -0.1031 19 H1 5.8137 -2.8061 0.3640 H 1 noname 0.0652 20 H2 5.0938 -1.9510 1.8855 H 1 noname 0.0652 21 H3 4.5339 -1.2456 -1.0277 H 1 noname 0.0659 22 H4 3.2064 -3.1943 0.8621 H 1 noname 0.0630 23 H5 2.3647 0.0759 -0.9973 H 1 noname 0.0824 24 H6 2.8862 -4.0288 -0.9454 H 1 noname 0.2105 25 H7 1.0495 -1.7621 -0.2994 H 1 noname 0.0338 26 H8 1.6226 -1.5470 1.4866 H 1 noname 0.0338 27 H9 1.1519 2.0078 -1.1709 H 1 noname 0.1016 28 H10 1.9489 0.4630 5.1825 H 1 noname 0.1062 29 H11 0.5970 5.0094 3.4937 H 1 noname 0.1258 30 H12 -0.9595 4.2110 3.4937 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 9 10 1 11 9 11 1 12 10 12 2 13 10 13 1 14 11 14 2 15 12 15 1 16 13 16 2 17 13 14 1 18 15 17 2 19 16 18 1 20 16 17 1 21 2 19 1 22 2 20 1 23 3 21 1 24 5 22 1 25 6 23 1 26 7 24 1 27 8 25 1 28 8 26 1 29 11 27 1 30 15 28 1 31 18 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1