@MOLECULE DB04756 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.3039 -1.1575 1.1631 Cl 1 noname -0.0626 2 C1 -0.0168 0.1004 0.0763 C.2 1 noname 0.0471 3 C2 0.6955 -0.1401 -1.0928 C.2 1 noname 0.0503 4 C3 -0.4925 1.3775 0.3500 C.2 1 noname -0.0117 5 O1 1.1575 -1.3805 -1.3586 O.3 1 noname -0.1223 6 C4 0.9321 0.8963 -1.9883 C.2 1 noname 0.0471 7 C5 -0.2559 2.4140 -0.5455 C.2 1 noname -0.0104 8 O2 2.3605 -1.5150 -0.8576 O.3 1 noname -0.1320 9 Cl2 1.7965 0.6043 -3.4072 Cl 1 noname -0.0626 10 C6 0.4563 2.1734 -1.7146 C.2 1 noname -0.0117 11 N1 -0.7146 3.6451 -0.2816 N.3 1 noname -0.0146 12 O3 2.8088 -2.7186 -1.1155 O.3 1 noname -0.1746 13 C7 0.2102 4.3283 0.4067 C.2 1 noname 0.0196 14 C8 -0.0409 5.6387 0.7964 C.2 1 noname -0.0086 15 C9 1.4205 3.7265 0.7309 C.2 1 noname -0.0438 16 C10 -1.2512 6.2404 0.4722 C.2 1 noname 0.0853 17 C11 0.9184 6.3473 1.5104 C.2 1 noname -0.0087 18 C12 2.3797 4.4351 1.4449 C.2 1 noname -0.0373 19 O4 -1.4770 7.4188 0.8227 O.2 1 noname -0.2586 20 O5 -2.1828 5.5522 -0.2213 O.3 1 noname -0.2183 21 C13 2.1287 5.7455 1.8347 C.2 1 noname -0.0679 22 H1 -1.0510 1.5662 1.2668 H 1 noname 0.0656 23 H2 0.6418 2.9862 -2.4168 H 1 noname 0.0656 24 H3 -1.6175 4.0028 -0.5587 H 1 noname 0.1342 25 H4 2.9805 -3.1795 -0.2912 H 1 noname 0.2580 26 H5 1.6174 2.6989 0.4253 H 1 noname 0.0639 27 H6 0.7215 7.3749 1.8161 H 1 noname 0.0631 28 H7 3.3288 3.9632 1.6992 H 1 noname 0.0623 29 H8 -2.7776 5.1128 0.3909 H 1 noname 0.2216 30 H9 2.8809 6.3012 2.3946 H 1 noname 0.0622 @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 1 8 6 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 11 13 1 14 13 14 2 15 13 15 1 16 14 16 1 17 14 17 1 18 15 18 2 19 16 19 2 20 16 20 1 21 17 21 2 22 18 21 1 23 4 22 1 24 10 23 1 25 11 24 1 26 12 25 1 27 15 26 1 28 17 27 1 29 18 28 1 30 20 29 1 31 21 30 1 @SUBSTRUCTURE 1 noname 1