@MOLECULE DB01073 32 34 1 SMALL USER_CHARGES @ATOM 1 F1 -5.7178 2.1531 2.3904 F 1 noname -0.0898 2 C1 -4.8163 1.2888 2.0258 C.2 1 noname 0.1337 3 N1 -4.7774 0.0404 2.5954 N.2 1 noname -0.2100 4 N2 -3.8948 1.6099 1.0711 N.2 1 noname -0.1982 5 C2 -3.8596 -0.9279 2.2689 C.2 1 noname 0.0853 6 C3 -2.9614 0.6649 0.6937 C.2 1 noname 0.1267 7 N3 -3.8590 -2.1258 2.8694 N.3 1 noname -0.1005 8 C4 -2.9217 -0.6021 1.2752 C.2 1 noname 0.0162 9 N4 -1.9794 0.6795 -0.2188 N.3 1 noname 0.0331 10 N5 -1.9526 -1.3422 0.7241 N.2 1 noname -0.2190 11 C5 -1.3921 -0.5397 -0.1994 C.2 1 noname -0.0310 12 C6 -1.6670 1.8250 -1.0386 C.3 1 noname 0.1590 13 O1 -1.2922 2.9207 -0.2173 O.3 1 noname -0.3483 14 C7 -0.5277 1.7138 -2.0706 C.3 1 noname 0.1258 15 C8 -0.8969 3.8856 -1.1877 C.3 1 noname 0.1117 16 O2 0.5667 1.0164 -1.4942 O.3 1 noname -0.3857 17 C9 -0.1417 3.1593 -2.2974 C.3 1 noname 0.1126 18 C10 0.0245 4.9177 -0.5346 C.3 1 noname 0.0722 19 O3 -0.6297 3.5871 -3.5604 O.3 1 noname -0.3873 20 O4 -0.6657 5.5659 0.5236 O.3 1 noname -0.3934 21 H1 -4.7334 -2.5777 3.0957 H 1 noname 0.1258 22 H2 -2.9840 -2.5768 3.0957 H 1 noname 0.1258 23 H3 -0.5687 -0.8385 -0.8481 H 1 noname 0.1016 24 H4 -2.6323 1.9543 -1.5280 H 1 noname 0.0853 25 H5 -0.7515 1.1504 -2.9765 H 1 noname 0.0674 26 H6 -1.8100 4.3550 -1.5536 H 1 noname 0.0656 27 H7 0.5035 1.0567 -0.5372 H 1 noname 0.2107 28 H8 0.9303 3.3512 -2.3457 H 1 noname 0.0657 29 H9 0.8477 4.3833 -0.0605 H 1 noname 0.0591 30 H10 0.2312 5.6975 -1.2676 H 1 noname 0.0591 31 H11 -0.8379 2.8204 -4.0994 H 1 noname 0.2106 32 H12 -1.0470 4.9067 1.1082 H 1 noname 0.2101 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 8 10 1 11 9 11 1 12 12 9 1 13 10 11 2 14 12 13 1 15 12 14 1 16 13 15 1 17 14 16 1 18 14 17 1 19 15 18 1 20 15 17 1 21 17 19 1 22 18 20 1 23 7 21 1 24 7 22 1 25 11 23 1 26 12 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 17 28 1 31 18 29 1 32 18 30 1 33 19 31 1 34 20 32 1 @SUBSTRUCTURE 1 noname 1