@MOLECULE DB07552 32 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.8149 -1.2352 -0.2457 Cl 1 noname 0.0068 2 C1 0.1226 0.1438 0.0104 C.2 1 noname 0.1193 3 N1 1.4458 0.0307 0.1892 N.2 1 noname -0.1846 4 N2 -0.4559 1.3522 0.0351 N.2 1 noname -0.1850 5 C2 2.1905 1.1260 0.3926 C.2 1 noname 0.1122 6 C3 0.2887 2.4475 0.2385 C.2 1 noname 0.1118 7 N3 1.6119 2.3344 0.4172 N.2 1 noname -0.1899 8 N4 3.5137 1.0129 0.5713 N.3 1 noname -0.1807 9 N5 -0.2898 3.6559 0.2631 N.3 1 noname -0.0653 10 C4 4.1648 1.0895 -0.6770 C.3 1 noname 0.1095 11 C5 -0.3057 4.1961 -1.0392 C.3 1 noname 0.0000 12 C6 5.5098 0.9745 -0.4953 C.1 1 noname 0.0763 13 C7 3.8521 2.4356 -1.3335 C.3 1 noname -0.0240 14 C8 3.6733 -0.0443 -1.5790 C.3 1 noname -0.0329 15 C9 -0.9662 5.5758 -1.0111 C.3 1 noname -0.0522 16 N6 6.6434 0.8776 -0.3421 N.1 1 noname -0.1876 17 C10 4.3437 3.5694 -0.4315 C.3 1 noname -0.0626 18 H1 3.9409 0.8922 1.4785 H 1 noname 0.1328 19 H2 -0.6475 4.0808 1.1067 H 1 noname 0.1311 20 H3 0.7420 4.3264 -1.3103 H 1 noname 0.0430 21 H4 -0.9400 3.5275 -1.6211 H 1 noname 0.0430 22 H5 4.4418 2.4837 -2.2490 H 1 noname 0.0293 23 H6 2.7663 2.5185 -1.3797 H 1 noname 0.0293 24 H7 3.3156 -0.8695 -0.9632 H 1 noname 0.0260 25 H8 2.8605 0.3183 -2.2083 H 1 noname 0.0260 26 H9 4.4936 -0.3896 -2.2083 H 1 noname 0.0260 27 H10 -1.1149 5.8864 0.0231 H 1 noname 0.0243 28 H11 -0.3245 6.2963 -1.5181 H 1 noname 0.0243 29 H12 -1.9299 5.5277 -1.5181 H 1 noname 0.0243 30 H13 4.2194 3.2828 0.6128 H 1 noname 0.0231 31 H14 5.3974 3.7626 -0.6323 H 1 noname 0.0231 32 H15 3.7643 4.4706 -0.6323 H 1 noname 0.0231 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 9 1 9 6 7 1 10 10 8 1 11 9 11 1 12 10 12 1 13 10 13 1 14 10 14 1 15 11 15 1 16 12 16 3 17 13 17 1 18 8 18 1 19 9 19 1 20 11 20 1 21 11 21 1 22 13 22 1 23 13 23 1 24 14 24 1 25 14 25 1 26 14 26 1 27 15 27 1 28 15 28 1 29 15 29 1 30 17 30 1 31 17 31 1 32 17 32 1 @SUBSTRUCTURE 1 noname 1