@MOLECULE 121488131 33 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.6529 0.7778 -3.0518 Cl 1 noname -0.0746 2 Cl2 -3.7216 2.0111 -5.8595 Cl 1 noname -0.0684 3 O1 -2.7026 1.7891 0.5008 O.3 1 noname -0.2197 4 O2 -1.7133 3.4373 1.0761 O.2 1 noname -0.2490 5 O3 0.6603 4.0952 -4.5508 O.3 1 noname -0.2249 6 O4 1.4718 2.3440 -4.0875 O.2 1 noname -0.2557 7 N1 0.7853 2.1355 0.9005 N.3 1 noname -0.0054 8 N2 1.3226 1.9901 -1.2355 N.2 1 noname -0.2144 9 N3 -1.5628 2.3151 0.8018 N.2 1 noname -0.1920 10 N4 0.7320 3.1581 -3.7040 N.2 1 noname -0.2005 11 C1 -0.0322 2.0293 -1.1728 C.2 1 noname 0.0742 12 C2 -0.3538 2.1542 0.1953 C.2 1 noname 0.0116 13 C3 -0.9032 2.0232 -2.3053 C.2 1 noname 0.0312 14 C4 0.8970 2.1903 2.3279 C.3 1 noname -0.0424 15 C5 1.7912 2.0487 0.0199 C.2 1 noname -0.0442 16 C6 -0.4985 2.6074 -3.5327 C.2 1 noname 0.0578 17 C7 -2.1755 1.3813 -2.2912 C.2 1 noname 0.0254 18 C8 0.8762 0.7698 2.8959 C.3 1 noname -0.0489 19 C9 -1.3757 2.5861 -4.6310 C.2 1 noname 0.0379 20 C10 -3.1164 1.4765 -3.3283 C.2 1 noname 0.0216 21 C11 -2.6805 2.0497 -4.5291 C.2 1 noname 0.0432 22 H1 0.0605 2.7573 2.7363 H 1 noname 0.0471 23 H2 1.8335 2.6769 2.6006 H 1 noname 0.0471 24 H3 2.7736 2.0294 0.2621 H 1 noname 0.1016 25 H4 -2.4402 0.7411 -1.5620 H 1 noname 0.0647 26 H5 0.9612 0.8114 3.9818 H 1 noname 0.0246 27 H6 -0.0603 0.2831 2.6232 H 1 noname 0.0246 28 H7 1.7127 0.2028 2.4874 H 1 noname 0.0246 29 H8 -1.0747 2.9673 -5.5200 H 1 noname 0.0672 30 H9 -3.3077 1.8594 1.2684 H 1 noname 0.2598 31 H10 1.5477 4.4923 -4.6744 H 1 noname 0.2597 32 H11 -1.3849 1.9820 1.6572 H 1 noname 0.2792 33 H12 1.0378 3.4978 -2.8884 H 1 noname 0.2775 @BOND 1 1 20 1 2 2 21 1 3 3 9 1 4 3 30 1 5 4 9 2 6 5 10 1 7 5 31 1 8 6 10 2 9 7 12 1 10 7 14 1 11 7 15 1 12 8 11 1 13 8 15 2 14 9 12 1 15 9 32 1 16 10 16 1 17 10 33 1 18 11 12 2 19 11 13 1 20 13 16 1 21 13 17 2 22 14 18 1 23 14 22 1 24 14 23 1 25 15 24 1 26 16 19 2 27 17 20 1 28 17 25 1 29 18 26 1 30 18 27 1 31 18 28 1 32 19 21 1 33 19 29 1 34 20 21 2 @SUBSTRUCTURE 1 noname 1