@MOLECULE 71576671 61 64 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.7783 -11.2320 -0.0999 Cl 1 noname -0.0564 2 Cl2 5.1774 -8.8941 1.9253 Cl 1 noname -0.0564 3 O1 0.6738 0.0943 4.2999 O.2 1 noname -0.2953 4 O2 3.6475 -11.1631 0.7054 O.2 1 noname -0.2816 5 N1 2.7474 -3.0490 2.8570 N.3 1 noname -0.1276 6 N2 7.4218 -4.5350 -0.9229 N.3 1 noname -0.3090 7 N3 1.3747 -5.5511 2.3512 N.3 1 noname -0.0225 8 N4 -1.3393 -3.2107 2.9278 N.2 1 noname -0.2768 9 C1 5.0912 -3.9985 -0.4232 C.3 1 noname -0.0285 10 C2 3.2206 -2.5939 1.5732 C.3 1 noname 0.0114 11 C3 5.5288 -2.6418 0.2326 C.3 1 noname -0.0477 12 C4 3.7352 -4.6397 -0.0023 C.3 1 noname -0.0477 13 C5 4.7596 -2.3132 1.5586 C.3 1 noname -0.0371 14 C6 2.7156 -3.5304 0.4168 C.3 1 noname -0.0371 15 C7 6.2128 -5.0269 -0.2644 C.3 1 noname 0.0004 16 C8 1.4066 -3.1926 3.0888 C.2 1 noname 0.0212 17 C9 8.4936 -5.5178 -0.7712 C.3 1 noname -0.0136 18 C10 7.1513 -4.3244 -2.3442 C.3 1 noname -0.0136 19 C11 0.7324 -4.3887 2.7191 C.2 1 noname 0.0054 20 C12 0.6756 -2.0425 3.4837 C.2 1 noname -0.0068 21 C13 -0.6810 -4.3593 2.5884 C.2 1 noname 0.0221 22 C14 -0.7312 -2.0721 3.3867 C.2 1 noname 0.0070 23 C15 1.3314 -0.9115 3.9557 C.2 1 noname 0.1034 24 C16 0.7462 -6.6423 1.8310 C.2 1 noname -0.0731 25 C17 -1.3174 -5.4659 2.0592 C.2 1 noname -0.0011 26 C18 -0.6130 -6.5583 1.6776 C.2 1 noname -0.0295 27 C19 2.7883 -0.8983 4.0495 C.3 1 noname -0.0008 28 C20 1.4692 -7.7446 1.5043 C.2 1 noname -0.0140 29 C21 2.8186 -7.8219 1.7792 C.2 1 noname 0.0180 30 C22 0.8916 -8.8457 0.9100 C.2 1 noname 0.0180 31 C23 3.5672 -8.9146 1.5346 C.2 1 noname 0.0675 32 C24 1.5763 -9.9734 0.6244 C.2 1 noname 0.0675 33 C25 2.9936 -10.1220 0.9313 C.2 1 noname 0.1128 34 H1 5.0282 -3.7767 -1.4885 H 1 noname 0.0316 35 H2 2.7832 -1.6083 1.4031 H 1 noname 0.0468 36 H3 5.3858 -1.8305 -0.4811 H 1 noname 0.0270 37 H4 6.6025 -2.6512 0.4204 H 1 noname 0.0270 38 H5 3.3285 -5.2104 -0.8372 H 1 noname 0.0270 39 H6 3.9243 -5.2584 0.8750 H 1 noname 0.0270 40 H7 4.9423 -1.2753 1.8369 H 1 noname 0.0282 41 H8 5.1785 -2.9885 2.3046 H 1 noname 0.0282 42 H9 1.7739 -3.9944 0.7100 H 1 noname 0.0282 43 H10 2.5529 -2.9181 -0.4702 H 1 noname 0.0282 44 H11 5.9088 -5.9693 -0.7199 H 1 noname 0.0433 45 H12 6.4145 -5.1839 0.7952 H 1 noname 0.0433 46 H13 3.2069 -3.8683 3.0991 H 1 noname 0.1285 47 H14 9.3950 -5.1510 -1.2622 H 1 noname 0.0394 48 H15 8.1896 -6.4602 -1.2267 H 1 noname 0.0394 49 H16 8.6953 -5.6747 0.2884 H 1 noname 0.0394 50 H17 8.0528 -3.9577 -2.8351 H 1 noname 0.0394 51 H18 6.3523 -3.5918 -2.4573 H 1 noname 0.0394 52 H19 6.8473 -5.2669 -2.7997 H 1 noname 0.0394 53 H20 1.9709 -5.8304 3.0635 H 1 noname 0.1343 54 H21 -1.2865 -1.2593 3.6537 H 1 noname 0.0847 55 H22 -2.3022 -5.4602 1.9575 H 1 noname 0.0646 56 H23 -1.0967 -7.3221 1.2742 H 1 noname 0.0640 57 H24 3.0842 -0.7320 5.0853 H 1 noname 0.0313 58 H25 3.1831 -1.8552 3.7080 H 1 noname 0.0313 59 H26 3.1854 -0.0978 3.4253 H 1 noname 0.0313 60 H27 -0.0709 -8.8078 0.6817 H 1 noname 0.0646 61 H28 3.2610 -7.0312 2.1780 H 1 noname 0.0646 @BOND 1 1 32 1 2 2 31 1 3 3 23 2 4 4 33 2 5 5 10 1 6 5 16 1 7 5 46 1 8 6 15 1 9 6 17 1 10 6 18 1 11 7 19 1 12 7 24 1 13 7 53 1 14 8 21 2 15 8 22 1 16 9 11 1 17 9 12 1 18 9 15 1 19 9 34 1 20 10 13 1 21 10 14 1 22 10 35 1 23 11 13 1 24 11 36 1 25 11 37 1 26 12 14 1 27 12 38 1 28 12 39 1 29 13 40 1 30 13 41 1 31 14 42 1 32 14 43 1 33 15 44 1 34 15 45 1 35 16 19 2 36 16 20 1 37 17 47 1 38 17 48 1 39 17 49 1 40 18 50 1 41 18 51 1 42 18 52 1 43 19 21 1 44 20 22 2 45 20 23 1 46 21 25 1 47 22 54 1 48 23 27 1 49 24 26 1 50 24 28 2 51 25 26 2 52 25 55 1 53 26 56 1 54 27 57 1 55 27 58 1 56 27 59 1 57 28 29 1 58 28 30 1 59 29 31 2 60 29 61 1 61 30 32 2 62 30 60 1 63 31 33 1 64 32 33 1 @SUBSTRUCTURE 1 noname 1