@MOLECULE DB07490 33 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.4009 -1.3173 -1.3607 Cl 1 noname -0.0855 2 C1 0.3416 0.1527 -0.9950 C.2 1 noname -0.0157 3 C2 1.1689 0.2557 0.1173 C.2 1 noname -0.0267 4 C3 0.1260 1.2609 -1.8058 C.2 1 noname -0.0267 5 C4 1.7806 1.4669 0.4186 C.2 1 noname -0.0475 6 C5 0.7378 2.4721 -1.5045 C.2 1 noname -0.0475 7 C6 1.5651 2.5751 -0.3922 C.2 1 noname -0.0488 8 C7 2.2077 3.8473 -0.0757 C.3 1 noname 0.0547 9 C8 1.3392 4.6260 0.8023 C.2 1 noname 0.0277 10 C9 3.5406 3.5842 0.6280 C.3 1 noname -0.0542 11 C10 0.8818 5.8748 0.3980 C.2 1 noname 0.1078 12 C11 0.9698 4.1186 2.0426 C.2 1 noname 0.0660 13 O1 1.2406 6.3675 -0.8065 O.3 1 noname -0.2650 14 C12 0.0550 6.6162 1.2339 C.2 1 noname 0.0823 15 C13 0.1429 4.8600 2.8785 C.2 1 noname 0.0449 16 N1 -0.3745 7.7886 0.8543 N.2 1 noname -0.0021 17 C14 -0.3145 6.1088 2.4742 C.2 1 noname 0.1096 18 N2 -0.2039 4.3837 4.0429 N.2 1 noname -0.0153 19 O2 -0.5371 8.0109 -0.2776 O.2 1 noname -0.1418 20 O3 -0.6142 8.6836 1.7155 O.3 1 noname -0.1418 21 O4 -0.2977 3.2327 4.1969 O.2 1 noname -0.1447 22 O5 -0.4383 5.1717 5.0043 O.3 1 noname -0.1447 23 H1 1.3379 -0.6134 0.7531 H 1 noname 0.0638 24 H2 -0.5227 1.1802 -2.6780 H 1 noname 0.0638 25 H3 2.4294 1.5476 1.2908 H 1 noname 0.0626 26 H4 0.5688 3.3412 -2.1403 H 1 noname 0.0626 27 H5 2.3386 4.4027 -1.0044 H 1 noname 0.0400 28 H6 3.3934 3.6133 1.7076 H 1 noname 0.0240 29 H7 3.9166 2.6029 0.3389 H 1 noname 0.0240 30 H8 4.2613 4.3492 0.3389 H 1 noname 0.0240 31 H9 1.3285 3.1394 2.3596 H 1 noname 0.0651 32 H10 1.4200 5.6417 -1.4087 H 1 noname 0.2183 33 H11 -0.9629 6.6902 3.1297 H 1 noname 0.0672 @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 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 9 11 2 12 9 12 1 13 11 13 1 14 11 14 1 15 12 15 2 16 14 16 1 17 14 17 2 18 15 18 1 19 15 17 1 20 16 19 2 21 16 20 1 22 18 21 2 23 18 22 1 24 3 23 1 25 4 24 1 26 5 25 1 27 6 26 1 28 8 27 1 29 10 28 1 30 10 29 1 31 10 30 1 32 12 31 1 33 13 32 1 34 17 33 1 @SUBSTRUCTURE 1 noname 1