@MOLECULE DB02796 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 2.8794 -2.6420 1.1697 O.3 1 noname -0.3620 2 C1 1.7898 -1.9224 0.5804 C.3 1 noname 0.1151 3 C2 4.0125 -2.1344 0.4986 C.3 1 noname 0.1101 4 C3 0.5327 -2.2745 1.2634 C.2 1 noname 0.0199 5 C4 2.1928 -0.4496 0.6445 C.3 1 noname 0.1130 6 C5 3.6614 -0.6588 0.3409 C.3 1 noname 0.1113 7 C6 5.2424 -2.2728 1.3981 C.3 1 noname 0.0721 8 C7 -0.0122 -3.5437 1.3587 C.2 1 noname 0.0525 9 C8 -0.3544 -1.4281 1.9518 C.2 1 noname -0.0730 10 O2 1.5835 0.2549 -0.4274 O.3 1 noname -0.3871 11 O3 3.9327 -0.2474 -0.9908 O.3 1 noname -0.3874 12 O4 5.4503 -3.6428 1.7083 O.3 1 noname -0.3934 13 N1 0.4155 -4.7422 0.8491 N.2 1 noname -0.2270 14 C9 -1.1843 -3.4081 2.1044 C.2 1 noname 0.0454 15 N2 -1.3827 -2.1288 2.4584 N.3 1 noname -0.0302 16 C10 -0.3451 -5.8569 1.0668 C.2 1 noname 0.0332 17 C11 -1.9531 -4.5600 2.3401 C.2 1 noname 0.0644 18 N3 -1.4995 -5.7378 1.8015 N.2 1 noname -0.2024 19 O5 -3.0904 -4.5105 3.0659 O.3 1 noname -0.2475 20 H1 1.6083 -2.2313 -0.4491 H 1 noname 0.0684 21 H2 4.1796 -2.6800 -0.4301 H 1 noname 0.0656 22 H3 1.9162 0.1426 1.5167 H 1 noname 0.0659 23 H4 4.2825 -0.0311 0.9799 H 1 noname 0.0657 24 H5 6.1171 -1.9689 0.8231 H 1 noname 0.0591 25 H6 5.0209 -1.7895 2.3497 H 1 noname 0.0591 26 H7 -0.2559 -0.3500 2.0785 H 1 noname 0.0793 27 H8 1.2244 -0.3722 -1.0594 H 1 noname 0.2107 28 H9 4.0462 -1.0210 -1.5479 H 1 noname 0.2106 29 H10 5.4675 -3.7560 2.6615 H 1 noname 0.2101 30 H11 -2.1540 -1.7650 2.9995 H 1 noname 0.1524 31 H12 -0.0373 -6.8213 0.6628 H 1 noname 0.1062 32 H13 -2.8738 -4.5199 4.0011 H 1 noname 0.2199 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 2 9 5 10 1 10 5 6 1 11 6 11 1 12 7 12 1 13 8 13 2 14 8 14 1 15 9 15 1 16 13 16 1 17 14 17 2 18 14 15 1 19 16 18 2 20 17 19 1 21 17 18 1 22 2 20 1 23 3 21 1 24 5 22 1 25 6 23 1 26 7 24 1 27 7 25 1 28 9 26 1 29 10 27 1 30 11 28 1 31 12 29 1 32 15 30 1 33 16 31 1 34 19 32 1 @SUBSTRUCTURE 1 noname 1