@MOLECULE DB07148 44 47 1 SMALL USER_CHARGES @ATOM 1 Cl1 6.8624 2.4378 -7.4735 Cl 1 noname -0.0334 2 C1 5.5315 3.4460 -7.2321 C.2 1 noname 0.0640 3 N1 5.6101 4.6573 -6.5767 N.2 1 noname -0.1475 4 C2 4.2253 3.1294 -7.6836 C.2 1 noname -0.0081 5 C3 4.5820 5.5371 -6.3347 C.2 1 noname 0.0978 6 N2 3.1687 3.9674 -7.4580 N.3 1 noname 0.0594 7 C4 3.8497 2.0585 -8.4113 C.2 1 noname -0.0240 8 O1 4.7924 6.6931 -5.6698 O.3 1 noname -0.2204 9 C5 3.2865 5.1847 -6.8112 C.2 1 noname 0.1034 10 C6 1.9863 3.3948 -8.0429 C.3 1 noname 0.1148 11 C7 2.5478 2.2097 -8.6585 C.2 1 noname -0.0454 12 C8 4.6086 6.4788 -4.2781 C.3 1 noname 0.0803 13 O2 2.3028 5.9395 -6.6523 O.2 1 noname -0.2648 14 C9 0.8946 2.9223 -7.0387 C.2 1 noname 0.0530 15 C10 4.8361 7.7289 -3.5591 C.2 1 noname -0.0460 16 O3 0.9117 1.7416 -6.6289 O.2 1 noname -0.2876 17 N3 -0.1721 3.8469 -6.5542 N.3 1 noname -0.0630 18 C11 3.8186 8.2848 -2.7924 C.2 1 noname -0.0332 19 C12 6.0702 8.3632 -3.6411 C.2 1 noname -0.0332 20 C13 -0.9342 3.1512 -5.5125 C.3 1 noname 0.0059 21 C14 0.2761 5.0569 -5.8365 C.3 1 noname 0.0059 22 C15 4.0351 9.4750 -2.1078 C.2 1 noname -0.0052 23 C16 6.2868 9.5534 -2.9565 C.2 1 noname -0.0052 24 C17 -0.3078 3.4704 -4.1457 C.3 1 noname -0.0387 25 C18 0.1815 4.9058 -4.3108 C.3 1 noname -0.0387 26 C19 5.2693 10.1093 -2.1898 C.2 1 noname 0.0234 27 F1 5.4720 11.2232 -1.5491 F 1 noname -0.1655 28 H1 4.4781 1.2296 -8.7373 H 1 noname 0.0637 29 H2 1.5411 4.1355 -8.7073 H 1 noname 0.0618 30 H3 2.0226 1.4763 -9.2705 H 1 noname 0.0598 31 H4 3.5592 6.2157 -4.1451 H 1 noname 0.0624 32 H5 5.3884 5.7822 -3.9703 H 1 noname 0.0624 33 H6 2.8508 7.7874 -2.7281 H 1 noname 0.0627 34 H7 6.8682 7.9273 -4.2422 H 1 noname 0.0627 35 H8 -1.9342 3.5846 -5.5285 H 1 noname 0.0435 36 H9 -0.7990 2.0858 -5.6989 H 1 noname 0.0435 37 H10 1.3337 5.1614 -6.0787 H 1 noname 0.0435 38 H11 -0.4279 5.8390 -6.1208 H 1 noname 0.0435 39 H12 3.2372 9.9109 -1.5067 H 1 noname 0.0653 40 H13 7.2546 10.0508 -3.0208 H 1 noname 0.0653 41 H14 -1.1019 3.4696 -3.3990 H 1 noname 0.0280 42 H15 0.5649 2.8308 -4.0138 H 1 noname 0.0280 43 H16 1.1880 4.9700 -3.8974 H 1 noname 0.0280 44 H17 -0.6001 5.5736 -3.9485 H 1 noname 0.0280 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 2 5 4 6 1 6 4 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 6 9 1 11 7 11 2 12 8 12 1 13 9 13 2 14 10 14 1 15 10 11 1 16 12 15 1 17 14 16 2 18 14 17 1 19 15 18 2 20 15 19 1 21 17 20 1 22 17 21 1 23 18 22 1 24 19 23 2 25 20 24 1 26 21 25 1 27 22 26 2 28 23 26 1 29 24 25 1 30 26 27 1 31 7 28 1 32 10 29 1 33 11 30 1 34 12 31 1 35 12 32 1 36 18 33 1 37 19 34 1 38 20 35 1 39 20 36 1 40 21 37 1 41 21 38 1 42 22 39 1 43 23 40 1 44 24 41 1 45 24 42 1 46 25 43 1 47 25 44 1 @SUBSTRUCTURE 1 noname 1