@MOLECULE DB02875 31 33 1 SMALL USER_CHARGES @ATOM 1 F1 4.9710 4.7508 -0.0541 F 1 noname -0.1701 2 C1 4.6927 3.4800 -0.0530 C.2 1 noname -0.0109 3 C2 3.3682 3.0586 -0.0336 C.2 1 noname 0.0111 4 C3 5.7197 2.5435 -0.0712 C.2 1 noname -0.0093 5 C4 3.0708 1.7008 -0.0324 C.2 1 noname -0.0280 6 C5 5.4223 1.1857 -0.0700 C.2 1 noname -0.0534 7 C6 4.0979 0.7643 -0.0506 C.2 1 noname -0.0159 8 C7 1.7464 1.2794 -0.0130 C.2 1 noname -0.0250 9 O1 3.8090 -0.5544 -0.0494 O.3 1 noname -0.8433 10 N1 1.3542 -0.0128 -0.0102 N.2 1 noname -0.2222 11 N2 0.6790 2.1083 0.0055 N.3 1 noname -0.0328 12 C8 0.0068 -0.0124 0.0061 C.2 1 noname 0.0189 13 C9 -0.4173 1.3305 0.0613 C.2 1 noname -0.0573 14 C10 -0.9129 -1.1042 0.0182 C.2 1 noname 0.0260 15 C11 -1.7971 1.6858 0.1920 C.2 1 noname -0.0241 16 C12 -2.2943 -0.7634 0.1079 C.2 1 noname 0.0074 17 C13 -2.7262 0.6046 0.2133 C.2 1 noname -0.0102 18 C14 -3.2253 -1.7547 0.0935 C.2 1 noname 0.0024 19 N3 -4.4647 -1.4664 0.1729 N.2 1 noname 0.1640 20 N4 -2.8486 -3.0057 -0.0019 N.3 1 noname -0.1007 21 H1 2.5628 3.7929 -0.0194 H 1 noname 0.0660 22 H2 6.7583 2.8739 -0.0864 H 1 noname 0.0652 23 H3 6.2277 0.4514 -0.0842 H 1 noname 0.0615 24 H4 0.6972 3.1178 -0.0179 H 1 noname 0.1543 25 H5 -0.5792 -2.1404 -0.0380 H 1 noname 0.0655 26 H6 -2.1226 2.7231 0.2710 H 1 noname 0.0643 27 H7 -3.7884 0.8285 0.3121 H 1 noname 0.0632 28 H8 -4.7574 -0.5002 0.2044 H 1 noname 0.2870 29 H9 -5.1538 -2.2041 0.2044 H 1 noname 0.2870 30 H10 -3.5410 -3.7402 -0.0387 H 1 noname 0.1297 31 H11 -1.8659 -3.2358 -0.0387 H 1 noname 0.1297 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 7 9 1 10 8 10 2 11 8 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 12 13 2 16 13 15 1 17 14 16 2 18 15 17 2 19 16 18 1 20 16 17 1 21 18 19 2 22 18 20 1 23 3 21 1 24 4 22 1 25 6 23 1 26 11 24 1 27 14 25 1 28 15 26 1 29 17 27 1 30 19 28 1 31 19 29 1 32 20 30 1 33 20 31 1 @SUBSTRUCTURE 1 noname 1