@MOLECULE DB02472 33 35 1 SMALL USER_CHARGES @ATOM 1 O1 -1.0471 4.2905 -2.3678 O.3 1 noname -0.3513 2 C1 -1.3540 2.9898 -1.8762 C.3 1 noname 0.1460 3 C2 0.2684 4.3758 -1.8430 C.3 1 noname 0.1114 4 N1 -2.7310 2.6153 -2.0273 N.3 1 noname -0.0624 5 C3 -0.2339 2.0829 -2.3911 C.3 1 noname 0.1227 6 C4 0.9335 3.0027 -2.0544 C.3 1 noname 0.1123 7 C5 1.0532 5.4454 -2.6051 C.3 1 noname 0.0722 8 C6 -3.6742 3.5424 -1.8006 C.2 1 noname 0.0420 9 C7 -3.2824 1.3000 -1.8850 C.3 1 noname 0.0612 10 O2 -0.1633 0.9148 -1.5869 O.3 1 noname -0.3860 11 O3 1.5368 2.5772 -0.8415 O.3 1 noname -0.3873 12 O4 0.4042 6.7004 -2.4622 O.3 1 noname -0.3934 13 N2 -3.6946 4.9014 -2.0138 N.2 1 noname -0.2464 14 C8 -4.6569 2.8686 -1.0833 C.2 1 noname 0.0500 15 N3 -4.4185 1.5486 -1.0646 N.3 1 noname -0.1015 16 C9 -4.6732 5.6519 -1.4263 C.2 1 noname 0.0245 17 C10 -5.6540 3.6458 -0.4661 C.2 1 noname 0.0587 18 N4 -5.6047 5.0050 -0.6538 N.2 1 noname -0.2311 19 O5 -6.6227 3.0767 0.2824 O.3 1 noname -0.2481 20 H1 -1.4008 2.9718 -0.7873 H 1 noname 0.0812 21 H2 0.1740 4.6484 -0.7918 H 1 noname 0.0656 22 H3 -0.3059 1.6810 -3.4018 H 1 noname 0.0671 23 H4 1.7496 2.9843 -2.7767 H 1 noname 0.0657 24 H5 2.0225 5.5624 -2.1205 H 1 noname 0.0591 25 H6 1.0001 5.2099 -3.6680 H 1 noname 0.0591 26 H7 -3.6324 0.9645 -2.8613 H 1 noname 0.0608 27 H8 -2.5788 0.6896 -1.3190 H 1 noname 0.0608 28 H9 -0.1783 1.1632 -0.6597 H 1 noname 0.2107 29 H10 1.5520 1.6178 -0.8110 H 1 noname 0.2106 30 H11 0.2998 6.9023 -1.5295 H 1 noname 0.2101 31 H12 -4.9745 0.8847 -0.5448 H 1 noname 0.1297 32 H13 -4.7097 6.7319 -1.5693 H 1 noname 0.1063 33 H14 -6.4197 3.1960 1.2131 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 1 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 9 27 1 30 10 28 1 31 11 29 1 32 12 30 1 33 15 31 1 34 16 32 1 35 19 33 1 @SUBSTRUCTURE 1 noname 1