@MOLECULE DB07326 41 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.4273 -1.8637 0.6626 Cl 1 noname -0.0701 2 C1 -2.2920 -0.6394 0.4218 C.2 1 noname 0.0451 3 C2 -0.9350 -0.9702 0.1500 C.2 1 noname 0.0856 4 C3 -2.6893 0.7200 0.4902 C.2 1 noname -0.0029 5 C4 0.0085 0.0406 -0.1171 C.2 1 noname 0.1072 6 C5 -0.6162 -2.3710 0.0596 C.2 1 noname 0.1137 7 C6 -1.7357 1.7499 0.2321 C.2 1 noname 0.0088 8 O1 1.3248 -0.0535 -0.4319 O.3 1 noname -0.3394 9 C7 -0.3995 1.3753 -0.1012 C.2 1 noname 0.0761 10 O2 -1.4472 -3.1971 -0.3758 O.2 1 noname -0.2717 11 N1 0.6847 -2.7839 0.4855 N.3 1 noname -0.1220 12 N2 1.7712 1.1539 -0.6335 N.2 1 noname -0.1550 13 C8 0.7857 2.0496 -0.3644 C.2 1 noname 0.1125 14 C9 1.0977 -4.0832 0.4526 C.2 1 noname 0.0465 15 N3 1.0159 3.3481 -0.0362 N.3 1 noname 0.0200 16 C10 2.4168 -4.4267 0.8450 C.2 1 noname 0.0395 17 C11 0.2894 -5.1954 0.0523 C.2 1 noname 0.0395 18 C12 1.8791 3.7015 0.9695 C.2 1 noname -0.0217 19 N4 2.8476 -5.7268 0.8370 N.2 1 noname -0.2117 20 N5 0.7474 -6.4713 0.0565 N.2 1 noname -0.2117 21 C13 2.1296 5.1015 1.1574 C.2 1 noname -0.0232 22 C14 2.5327 2.7399 1.8247 C.2 1 noname -0.0546 23 C15 2.0271 -6.7547 0.4490 C.2 1 noname 0.0529 24 C16 3.0416 5.5525 2.1609 C.2 1 noname -0.0114 25 C17 3.4458 3.1749 2.8251 C.2 1 noname -0.0533 26 C18 3.6951 4.5739 2.9824 C.2 1 noname -0.0479 27 C19 3.3026 6.9769 2.3463 C.3 1 noname 0.4161 28 F1 2.9553 7.3431 3.6210 F 1 noname -0.1661 29 F2 4.6356 7.2271 2.1461 F 1 noname -0.1661 30 F3 2.5620 7.6983 1.4458 F 1 noname -0.1661 31 H1 -3.7202 0.9714 0.7393 H 1 noname 0.0638 32 H2 -2.0219 2.8002 0.2884 H 1 noname 0.0631 33 H3 1.3561 -2.1139 0.8324 H 1 noname 0.1375 34 H4 0.5330 4.0690 -0.5531 H 1 noname 0.1358 35 H5 3.1259 -3.6631 1.1647 H 1 noname 0.0857 36 H6 -0.7412 -5.0622 -0.2768 H 1 noname 0.0857 37 H7 1.6201 5.8323 0.5293 H 1 noname 0.0645 38 H8 2.3347 1.6738 1.7139 H 1 noname 0.0639 39 H9 2.3873 -7.7835 0.4524 H 1 noname 0.1061 40 H10 3.9473 2.4465 3.4623 H 1 noname 0.0623 41 H11 4.3999 4.9021 3.7464 H 1 noname 0.0628 @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 5 9 2 9 6 10 2 10 6 11 1 11 7 9 1 12 8 12 1 13 9 13 1 14 11 14 1 15 12 13 2 16 13 15 1 17 14 16 2 18 14 17 1 19 15 18 1 20 16 19 1 21 17 20 2 22 18 21 2 23 18 22 1 24 19 23 2 25 20 23 1 26 21 24 1 27 22 25 2 28 24 26 2 29 24 27 1 30 25 26 1 31 27 28 1 32 27 29 1 33 27 30 1 34 4 31 1 35 7 32 1 36 11 33 1 37 15 34 1 38 16 35 1 39 17 36 1 40 21 37 1 41 22 38 1 42 23 39 1 43 25 40 1 44 26 41 1 @SUBSTRUCTURE 1 noname 1