@MOLECULE DB02287 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 2.3707 3.9681 -0.0160 O.3 1 noname -0.2799 2 C1 3.3682 3.0586 -0.0336 C.2 1 noname 0.0234 3 C2 3.0708 1.7008 -0.0324 C.2 1 noname 0.0021 4 C3 4.6927 3.4800 -0.0530 C.2 1 noname -0.0240 5 C4 1.7464 1.2794 -0.0130 C.2 1 noname -0.0216 6 C5 4.0979 0.7643 -0.0506 C.2 1 noname -0.0252 7 C6 5.7197 2.5435 -0.0712 C.2 1 noname -0.0467 8 N1 1.3542 -0.0128 -0.0102 N.2 1 noname -0.2216 9 N2 0.6790 2.1083 0.0055 N.3 1 noname -0.0210 10 C7 5.4223 1.1857 -0.0700 C.2 1 noname -0.0647 11 C8 0.0068 -0.0124 0.0061 C.2 1 noname 0.0138 12 C9 -0.4173 1.3305 0.0613 C.2 1 noname -0.0473 13 C10 -0.9129 -1.1042 0.0182 C.2 1 noname 0.0003 14 C11 -1.7971 1.6858 0.1920 C.2 1 noname 0.0007 15 C12 -2.2943 -0.7634 0.1079 C.2 1 noname -0.0078 16 C13 -2.7262 0.6046 0.2133 C.2 1 noname 0.0030 17 C14 -4.0537 0.8733 0.3362 C.2 1 noname 0.0019 18 N3 -4.8982 -0.0817 0.3569 N.2 1 noname 0.1640 19 N4 -4.4648 2.1134 0.4333 N.3 1 noname -0.1008 20 H1 2.1430 4.1757 0.8932 H 1 noname 0.2182 21 H2 4.9259 4.5447 -0.0540 H 1 noname 0.0650 22 H3 3.8647 -0.3004 -0.0496 H 1 noname 0.0631 23 H4 6.7583 2.8739 -0.0864 H 1 noname 0.0623 24 H5 0.6972 3.1178 -0.0179 H 1 noname 0.1543 25 H6 6.2277 0.4514 -0.0842 H 1 noname 0.0622 26 H7 -0.5792 -2.1404 -0.0380 H 1 noname 0.0646 27 H8 -2.1226 2.7231 0.2710 H 1 noname 0.0652 28 H9 -3.0340 -1.5639 0.0957 H 1 noname 0.0632 29 H10 -5.8879 0.1195 0.3652 H 1 noname 0.2870 30 H11 -4.5774 -1.0394 0.3652 H 1 noname 0.2870 31 H12 -3.7930 2.8666 0.4708 H 1 noname 0.1297 32 H13 -5.4535 2.3162 0.4708 H 1 noname 0.1297 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 1 13 11 13 1 14 11 12 2 15 12 14 1 16 13 15 2 17 14 16 2 18 15 16 1 19 16 17 1 20 17 18 2 21 17 19 1 22 1 20 1 23 4 21 1 24 6 22 1 25 7 23 1 26 9 24 1 27 10 25 1 28 13 26 1 29 14 27 1 30 15 28 1 31 18 29 1 32 18 30 1 33 19 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1