@MOLECULE DB07040 28 30 1 SMALL USER_CHARGES @ATOM 1 F1 3.4060 1.0285 -0.1534 F 1 noname -0.1659 2 C1 2.1069 1.0742 -0.1008 C.2 1 noname 0.0305 3 C2 1.3690 -0.1390 -0.0116 C.2 1 noname 0.0428 4 C3 1.4496 2.3390 -0.1336 C.2 1 noname 0.0201 5 C4 -0.0454 -0.0476 0.0498 C.2 1 noname 0.0376 6 C5 0.0309 2.4369 -0.0817 C.2 1 noname 0.0085 7 C6 -0.7903 -1.2336 0.1294 C.2 1 noname 0.0879 8 C7 -0.7126 1.2290 0.0095 C.2 1 noname 0.0399 9 O1 -0.2224 -2.3446 0.2038 O.2 1 noname -0.2901 10 C8 -2.1941 -1.1387 0.1232 C.2 1 noname 0.0256 11 O2 -2.0816 1.2915 0.0803 O.3 1 noname -0.1640 12 C9 -2.8337 0.1501 0.1570 C.2 1 noname 0.1050 13 C10 -2.9908 -2.3031 -0.0112 C.2 1 noname 0.0455 14 N1 -4.2040 0.2139 0.1273 N.2 1 noname -0.2138 15 C11 -4.4024 -2.1872 -0.1120 C.2 1 noname 0.0091 16 C12 -4.9983 -0.8947 -0.0299 C.2 1 noname 0.0840 17 C13 -5.1918 -3.3176 -0.2882 C.2 1 noname 0.0160 18 N2 -6.3295 -0.7623 -0.1059 N.3 1 noname -0.1048 19 O3 -4.7359 -4.3096 -0.8970 O.2 1 noname -0.2949 20 N3 -6.4415 -3.3440 0.1946 N.3 1 noname -0.0859 21 H1 1.8706 -1.1065 0.0089 H 1 noname 0.0661 22 H2 2.0441 3.2502 -0.1997 H 1 noname 0.0654 23 H3 -0.4695 3.4048 -0.1107 H 1 noname 0.0651 24 H4 -2.5189 -3.2853 -0.0369 H 1 noname 0.0641 25 H5 -6.7447 0.1580 -0.1345 H 1 noname 0.1258 26 H6 -6.9178 -1.5828 -0.1345 H 1 noname 0.1258 27 H7 -6.9310 -2.4794 0.3766 H 1 noname 0.1274 28 H8 -6.8941 -4.2284 0.3766 H 1 noname 0.1274 @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 8 1 9 7 9 2 10 7 10 1 11 8 11 1 12 10 12 2 13 10 13 1 14 11 12 1 15 12 14 1 16 13 15 2 17 14 16 2 18 15 17 1 19 15 16 1 20 16 18 1 21 17 19 2 22 17 20 1 23 3 21 1 24 4 22 1 25 6 23 1 26 13 24 1 27 18 25 1 28 18 26 1 29 20 27 1 30 20 28 1 @SUBSTRUCTURE 1 noname 1