@MOLECULE DB03196 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 3.1543 -1.3880 2.3122 O.2 1 noname -0.1450 2 N1 2.3050 -0.6522 2.6197 N.2 1 noname -0.0183 3 O2 1.3320 -1.0644 3.3151 O.3 1 noname -0.1450 4 C1 2.3575 0.5973 2.2469 C.2 1 noname 0.0238 5 C2 3.6488 1.2043 2.0647 C.2 1 noname 0.0377 6 C3 1.1287 1.2983 2.0387 C.2 1 noname 0.0377 7 C4 3.6912 2.5644 1.6462 C.2 1 noname 0.0006 8 C5 1.1870 2.6584 1.6017 C.2 1 noname 0.0006 9 C6 2.4692 3.2673 1.3810 C.2 1 noname 0.0346 10 O3 2.5515 4.5415 0.8817 O.3 1 noname -0.2490 11 C7 2.5083 4.5891 -0.5614 C.3 1 noname 0.1922 12 O4 2.5367 5.9404 -0.9864 O.3 1 noname -0.3409 13 C8 3.7059 3.9483 -1.2929 C.3 1 noname 0.1338 14 C9 2.6526 5.7395 -2.4044 C.3 1 noname 0.1125 15 O5 3.5054 2.5460 -1.3910 O.3 1 noname -0.3849 16 C10 3.6111 4.5702 -2.6727 C.3 1 noname 0.1134 17 C11 1.2760 5.4146 -2.9877 C.3 1 noname 0.0722 18 O6 4.8821 5.0775 -3.0516 O.3 1 noname -0.3873 19 O7 0.3877 6.4929 -2.7334 O.3 1 noname -0.3934 20 H1 4.5701 0.6487 2.2391 H 1 noname 0.0648 21 H2 0.1704 0.8075 2.2091 H 1 noname 0.0648 22 H3 4.6529 3.0642 1.5296 H 1 noname 0.0650 23 H4 0.2684 3.2222 1.4394 H 1 noname 0.0650 24 H5 1.5610 4.0943 -0.7752 H 1 noname 0.0956 25 H6 4.6775 4.0392 -0.8072 H 1 noname 0.0682 26 H7 3.0383 6.6734 -2.8134 H 1 noname 0.0657 27 H8 3.4513 2.1680 -0.5102 H 1 noname 0.2108 28 H9 3.3498 3.8939 -3.4866 H 1 noname 0.0658 29 H10 1.3717 5.3663 -4.0724 H 1 noname 0.0591 30 H11 0.8681 4.5662 -2.4382 H 1 noname 0.0591 31 H12 5.3929 5.2813 -2.2647 H 1 noname 0.2106 32 H13 0.2906 6.6109 -1.7856 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 2 8 7 9 2 9 8 9 1 10 9 10 1 11 11 10 1 12 11 12 1 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 1 17 14 17 1 18 14 16 1 19 16 18 1 20 17 19 1 21 5 20 1 22 6 21 1 23 7 22 1 24 8 23 1 25 11 24 1 26 13 25 1 27 14 26 1 28 15 27 1 29 16 28 1 30 17 29 1 31 17 30 1 32 18 31 1 33 19 32 1 @SUBSTRUCTURE 1 noname 1