@MOLECULE DB01534 29 28 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.7161 0.7523 -4.8258 Cl 1 noname -0.0780 2 C1 4.2968 0.2446 -3.2472 C.3 1 noname 0.2403 3 Cl2 5.3328 -1.1628 -3.4291 Cl 1 noname -0.0780 4 Cl3 5.2097 1.5526 -2.5105 Cl 1 noname -0.0780 5 C2 3.1054 -0.1110 -2.3556 C.3 1 noname 0.2026 6 O1 2.2681 1.0264 -2.2086 O.3 1 noname -0.3454 7 O2 3.5747 -0.5214 -1.0798 O.3 1 noname -0.3645 8 C3 1.1623 0.6963 -1.3811 C.3 1 noname 0.0608 9 C4 0.2601 1.9219 -1.2227 C.3 1 noname 0.0016 10 C5 0.3673 -0.4427 -2.0226 C.3 1 noname -0.0384 11 C6 1.0551 3.0609 -0.5812 C.3 1 noname 0.0617 12 O3 0.2178 4.1983 -0.4342 O.3 1 noname -0.3902 13 C7 1.5608 2.6188 0.7934 C.3 1 noname -0.0363 14 C8 2.2465 3.4165 -1.4728 C.3 1 noname -0.0363 15 H1 2.4907 -0.9191 -2.7522 H 1 noname 0.0967 16 H2 3.5902 -1.4803 -1.0377 H 1 noname 0.2134 17 H3 1.5929 0.3930 -0.4268 H 1 noname 0.0602 18 H4 -0.0044 2.2499 -2.2280 H 1 noname 0.0322 19 H5 -0.5225 1.6472 -0.5155 H 1 noname 0.0322 20 H6 -0.0681 -1.0665 -1.2420 H 1 noname 0.0257 21 H7 -0.4280 -0.0271 -2.6415 H 1 noname 0.0257 22 H8 1.0316 -1.0459 -2.6415 H 1 noname 0.0257 23 H9 0.0847 4.3791 0.4992 H 1 noname 0.2108 24 H10 1.5784 1.5299 0.8412 H 1 noname 0.0259 25 H11 2.5674 3.0057 0.9520 H 1 noname 0.0259 26 H12 0.8969 3.0057 1.5665 H 1 noname 0.0259 27 H13 3.1033 3.6722 -0.8494 H 1 noname 0.0259 28 H14 2.4971 2.5625 -2.1021 H 1 noname 0.0259 29 H15 1.9880 4.2681 -2.1021 H 1 noname 0.0259 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 6 8 1 8 8 9 1 9 8 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 5 15 1 15 7 16 1 16 8 17 1 17 9 18 1 18 9 19 1 19 10 20 1 20 10 21 1 21 10 22 1 22 12 23 1 23 13 24 1 24 13 25 1 25 13 26 1 26 14 27 1 27 14 28 1 28 14 29 1 @SUBSTRUCTURE 1 noname 1