@MOLECULE 66575233 50 55 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.9640 5.3122 2.2480 Cl 1 noname -0.0833 2 O1 -1.4141 2.0934 2.8760 O.3 1 noname -0.3716 3 O2 -3.0339 0.0574 2.9620 O.3 1 noname -0.3618 4 O3 -1.7937 3.3902 0.2400 O.2 1 noname -0.2730 5 O4 -4.3794 -0.2156 0.2682 O.2 1 noname -0.2683 6 O5 0.5984 -3.1400 -0.3836 O.3 1 noname -0.2636 7 N1 -1.8516 -1.0872 1.2421 N.3 1 noname -0.0450 8 N2 -3.5051 1.8852 0.5212 N.3 1 noname 0.1037 9 N3 1.5356 0.0460 0.0492 N.3 1 noname -0.0471 10 C1 -1.4795 1.4227 1.6185 C.3 1 noname 0.2215 11 C2 -2.4315 0.1676 1.6723 C.3 1 noname 0.2548 12 C3 -0.0758 1.1297 1.1395 C.2 1 noname 0.0106 13 C4 0.2782 -0.0898 0.5473 C.2 1 noname -0.0561 14 C5 -0.6203 -1.1970 0.6444 C.2 1 noname -0.0596 15 C6 -2.2485 2.3289 0.7263 C.2 1 noname 0.1079 16 C7 -3.5352 0.5674 0.7703 C.2 1 noname 0.1136 17 C8 1.0692 1.9259 1.1682 C.2 1 noname -0.0062 18 C9 -2.4336 -2.3104 1.3233 C.2 1 noname -0.0637 19 C10 -0.4403 -2.5462 0.2802 C.2 1 noname 0.0393 20 C11 2.0644 1.1839 0.5432 C.2 1 noname -0.0733 21 C12 -1.5958 -3.2148 0.6758 C.2 1 noname 0.0080 22 C13 -4.6133 2.6645 0.0268 C.3 1 noname 0.0024 23 C14 1.2965 3.2251 1.6767 C.2 1 noname -0.0018 24 C15 2.1711 -0.7806 -0.9079 C.3 1 noname -0.0632 25 C16 -3.6478 -2.7684 1.9055 C.2 1 noname -0.0383 26 C17 3.3749 1.7085 0.5171 C.2 1 noname -0.0312 27 C18 -1.9635 -4.5584 0.5053 C.2 1 noname -0.0257 28 C19 2.6099 3.7479 1.6314 C.2 1 noname -0.0043 29 C20 -4.0113 -4.1246 1.7586 C.2 1 noname -0.0500 30 C21 3.6517 2.9804 1.0577 C.2 1 noname -0.0165 31 C22 -3.1787 -5.0128 1.0468 C.2 1 noname -0.0513 32 C23 1.4553 -3.8864 0.4948 C.3 1 noname 0.0424 33 H1 -1.0725 1.4774 3.5573 H 1 noname 0.2122 34 H2 -2.3559 -0.2094 3.6175 H 1 noname 0.2135 35 H3 -5.4120 2.6716 0.7685 H 1 noname 0.0404 36 H4 -4.9819 2.2247 -0.8999 H 1 noname 0.0404 37 H5 -4.2835 3.6861 -0.1619 H 1 noname 0.0404 38 H6 0.5363 3.7894 2.0632 H 1 noname 0.0645 39 H7 1.5980 -0.7699 -1.8350 H 1 noname 0.0436 40 H8 2.2273 -1.8004 -0.5272 H 1 noname 0.0436 41 H9 3.1776 -0.4080 -1.0986 H 1 noname 0.0436 42 H10 -4.2699 -2.1497 2.4309 H 1 noname 0.0642 43 H11 4.1494 1.1459 0.1336 H 1 noname 0.0643 44 H12 -1.3501 -5.1999 0.0173 H 1 noname 0.0630 45 H13 -4.9005 -4.4729 2.1518 H 1 noname 0.0623 46 H14 4.6198 3.3684 1.0295 H 1 noname 0.0638 47 H15 -3.4591 -5.9931 0.9193 H 1 noname 0.0622 48 H16 2.2629 -4.3371 -0.0819 H 1 noname 0.0535 49 H17 0.8783 -4.6699 0.9859 H 1 noname 0.0535 50 H18 1.8749 -3.2185 1.2471 H 1 noname 0.0535 @BOND 1 1 28 1 2 10 2 1 3 2 33 1 4 11 3 1 5 3 34 1 6 4 15 2 7 5 16 2 8 6 19 1 9 6 32 1 10 7 11 1 11 7 14 1 12 7 18 1 13 8 15 1 14 8 16 1 15 8 22 1 16 9 13 1 17 9 20 1 18 9 24 1 19 10 11 1 20 10 12 1 21 10 15 1 22 11 16 1 23 12 13 2 24 12 17 1 25 13 14 1 26 14 19 2 27 17 20 2 28 17 23 1 29 18 21 1 30 18 25 2 31 19 21 1 32 20 26 1 33 21 27 2 34 22 35 1 35 22 36 1 36 22 37 1 37 23 28 2 38 23 38 1 39 24 39 1 40 24 40 1 41 24 41 1 42 25 29 1 43 25 42 1 44 26 30 2 45 26 43 1 46 27 31 1 47 27 44 1 48 28 30 1 49 29 31 2 50 29 45 1 51 30 46 1 52 31 47 1 53 32 48 1 54 32 49 1 55 32 50 1 @SUBSTRUCTURE 1 noname 1