@MOLECULE DB02614 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -2.0663 2.4668 -1.3365 O.2 1 noname -0.2599 2 C1 -0.8326 2.3645 -1.5094 C.2 1 noname 0.0836 3 O2 -0.3298 2.2946 -2.7604 O.3 1 noname -0.2192 4 C2 0.0217 2.3227 -0.4137 C.2 1 noname -0.0018 5 C3 1.3936 2.2089 -0.6060 C.2 1 noname -0.0015 6 C4 -0.4960 2.3947 0.8743 C.2 1 noname -0.0059 7 C5 2.2479 2.1671 0.4897 C.2 1 noname -0.0353 8 C6 0.3583 2.3529 1.9700 C.2 1 noname -0.0412 9 C7 1.7302 2.2391 1.7777 C.2 1 noname -0.0309 10 C8 3.6889 2.0475 0.2878 C.3 1 noname -0.0136 11 C9 4.0778 0.5682 0.2516 C.3 1 noname 0.0538 12 N1 5.4695 0.4528 0.0565 N.3 1 noname -0.0806 13 B1 3.6641 -0.1407 1.6714 B 1 noname 0.1895 14 C10 5.9699 -0.6109 -0.5867 C.2 1 noname 0.0358 15 O3 4.3994 0.5520 2.8205 O.3 1 noname -0.2868 16 O4 4.0531 -1.6200 1.6352 O.3 1 noname -0.2868 17 O5 7.2037 -0.7132 -0.7596 O.2 1 noname -0.2980 18 C11 5.0742 -1.6503 -1.0856 C.3 1 noname 0.0095 19 H1 -0.2281 1.3741 -3.0134 H 1 noname 0.2216 20 H2 1.7996 2.1524 -1.6160 H 1 noname 0.0633 21 H3 -1.5718 2.4839 1.0251 H 1 noname 0.0631 22 H4 -0.0477 2.4093 2.9800 H 1 noname 0.0622 23 H5 2.4001 2.2063 2.6370 H 1 noname 0.0625 24 H6 3.8889 2.4648 -0.6992 H 1 noname 0.0326 25 H7 4.1528 2.4884 1.1701 H 1 noname 0.0326 26 H8 3.6604 0.1041 -0.6420 H 1 noname 0.0439 27 H9 6.1235 1.1486 0.3854 H 1 noname 0.1306 28 H10 4.7740 -0.1102 3.4061 H 1 noname 0.1898 29 H11 4.1399 -1.9501 2.5325 H 1 noname 0.1898 30 H12 4.6220 -2.1749 -0.2439 H 1 noname 0.0324 31 H13 4.2917 -1.1949 -1.6927 H 1 noname 0.0324 32 H14 5.6400 -2.3569 -1.6927 H 1 noname 0.0324 @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 7 10 1 10 8 9 1 11 10 11 1 12 11 12 1 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 1 17 14 17 2 18 14 18 1 19 3 19 1 20 5 20 1 21 6 21 1 22 8 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 12 27 1 28 15 28 1 29 16 29 1 30 18 30 1 31 18 31 1 32 18 32 1 @SUBSTRUCTURE 1 noname 1