@MOLECULE DB01791 43 45 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.5471 -1.8561 -2.7043 Cl 1 noname -0.0627 2 C1 0.1781 -3.4559 -2.3163 C.2 1 noname 0.0509 3 C2 1.0933 -4.2658 -1.5517 C.2 1 noname 0.0563 4 C3 -1.0301 -4.0408 -2.7279 C.2 1 noname 0.0336 5 N1 2.3243 -3.8353 -1.2072 N.3 1 noname -0.1236 6 C4 0.8089 -5.6121 -1.1429 C.2 1 noname 0.0509 7 N2 -1.2433 -5.3446 -2.3338 N.2 1 noname -0.2405 8 C5 3.0590 -2.8550 -1.9314 C.2 1 noname 0.0854 9 Cl2 1.8903 -6.4974 -0.1980 Cl 1 noname -0.0627 10 C6 -0.4193 -6.1583 -1.5703 C.2 1 noname 0.0336 11 O1 2.6169 -2.3911 -3.0046 O.2 1 noname -0.2774 12 C7 4.3210 -2.4087 -1.4038 C.2 1 noname -0.0136 13 C8 4.9606 -1.4929 -2.2607 C.2 1 noname 0.0266 14 C9 4.8898 -2.8029 -0.1616 C.2 1 noname -0.0129 15 C10 6.1877 -0.9282 -1.8236 C.2 1 noname 0.0412 16 C11 6.1488 -2.2952 0.2673 C.2 1 noname -0.0063 17 O2 6.7429 0.0363 -2.6164 O.3 1 noname -0.2614 18 C12 6.7838 -1.3549 -0.5886 C.2 1 noname 0.0462 19 C13 6.3998 1.3741 -2.1854 C.3 1 noname 0.0644 20 O3 7.9825 -0.8479 -0.2302 O.3 1 noname -0.2647 21 C14 7.1489 2.3823 -3.0370 C.3 1 noname -0.0262 22 C15 4.9342 1.8298 -2.3978 C.3 1 noname -0.0262 23 C16 9.0181 -1.6705 -0.7471 C.3 1 noname 0.0424 24 C17 6.4222 3.6631 -2.5770 C.3 1 noname -0.0507 25 C18 4.9565 3.3380 -2.2885 C.3 1 noname -0.0507 26 H1 -1.7687 -3.5071 -3.3259 H 1 noname 0.0855 27 H2 2.7097 -4.2622 -0.3769 H 1 noname 0.1375 28 H3 -0.7214 -7.1750 -1.3190 H 1 noname 0.0855 29 H4 4.5231 -1.2316 -3.2243 H 1 noname 0.0659 30 H5 4.3513 -3.5067 0.4731 H 1 noname 0.0631 31 H6 6.6045 -2.6112 1.2057 H 1 noname 0.0651 32 H7 6.6630 1.2852 -1.1314 H 1 noname 0.0608 33 H8 8.1866 2.4197 -2.7055 H 1 noname 0.0293 34 H9 6.9183 2.1960 -4.0859 H 1 noname 0.0293 35 H10 4.6510 1.5848 -3.4215 H 1 noname 0.0293 36 H11 4.3413 1.4547 -1.5637 H 1 noname 0.0293 37 H12 9.5760 -2.1137 0.0778 H 1 noname 0.0535 38 H13 8.5831 -2.4615 -1.3579 H 1 noname 0.0535 39 H14 9.6902 -1.0678 -1.3579 H 1 noname 0.0535 40 H15 6.8692 3.9588 -1.6278 H 1 noname 0.0267 41 H16 6.4288 4.3530 -3.4209 H 1 noname 0.0267 42 H17 4.3476 3.7455 -3.0955 H 1 noname 0.0267 43 H18 4.7408 3.6062 -1.2543 H 1 noname 0.0267 @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 6 9 1 9 6 10 2 10 7 10 1 11 8 11 2 12 8 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 1 18 15 18 2 19 16 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 19 22 1 24 20 23 1 25 21 24 1 26 22 25 1 27 24 25 1 28 4 26 1 29 5 27 1 30 10 28 1 31 13 29 1 32 14 30 1 33 16 31 1 34 19 32 1 35 21 33 1 36 21 34 1 37 22 35 1 38 22 36 1 39 23 37 1 40 23 38 1 41 23 39 1 42 24 40 1 43 24 41 1 44 25 42 1 45 25 43 1 @SUBSTRUCTURE 1 noname 1