@MOLECULE DB06725 33 35 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.8658 4.4100 -0.2233 Cl 1 noname -0.0495 2 C1 1.7413 3.1644 -0.3964 C.2 1 noname 0.0795 3 S1 1.9701 1.5853 -1.1574 S.3 1 noname -0.1202 4 C2 0.4003 3.1383 0.0313 C.2 1 noname 0.0585 5 C3 0.3761 0.9057 -0.8217 C.2 1 noname 0.1295 6 C4 -0.3213 1.9603 -0.2250 C.2 1 noname 0.0778 7 C5 -0.1512 -0.3137 -1.1188 C.2 1 noname 0.0509 8 S2 -2.0790 1.8003 -0.0492 S 1 noname -0.0766 9 O1 0.6284 -1.2223 -1.6747 O.3 1 noname -0.2718 10 C6 -1.4318 -0.6296 -0.8692 C.2 1 noname 0.0725 11 O2 -2.7133 2.2117 1.3614 O.2 1 noname -0.1917 12 O3 -2.7566 2.5746 -1.2907 O.2 1 noname -0.1917 13 N1 -2.3716 0.1368 -0.3283 N.3 1 noname 0.1107 14 C7 -1.7029 -1.9432 -1.3090 C.2 1 noname 0.1222 15 C8 -2.8422 -0.4631 0.8578 C.3 1 noname 0.0106 16 O4 -0.7858 -2.6271 -1.8127 O.2 1 noname -0.2657 17 N2 -3.0015 -2.4960 -1.1865 N.3 1 noname -0.1072 18 C9 -3.3593 -3.7554 -1.5752 C.2 1 noname 0.0361 19 N3 -4.6733 -4.1333 -1.3652 N.2 1 noname -0.2317 20 C10 -2.4640 -4.7014 -2.1797 C.2 1 noname -0.0031 21 C11 -5.2125 -5.3560 -1.6885 C.2 1 noname 0.0028 22 C12 -2.9972 -5.9837 -2.5276 C.2 1 noname -0.0350 23 C13 -4.3509 -6.3203 -2.2912 C.2 1 noname -0.0303 24 H1 -0.0572 3.9889 0.5366 H 1 noname 0.0664 25 H2 1.0656 -1.7319 -0.9886 H 1 noname 0.2183 26 H3 -2.8022 -1.5477 0.7570 H 1 noname 0.0413 27 H4 -2.2169 -0.1526 1.6948 H 1 noname 0.0413 28 H5 -3.8714 -0.1526 1.0383 H 1 noname 0.0413 29 H6 -3.7423 -1.9397 -0.7841 H 1 noname 0.1390 30 H7 -1.4189 -4.4554 -2.3675 H 1 noname 0.0656 31 H8 -6.2644 -5.5499 -1.4787 H 1 noname 0.0839 32 H9 -2.3500 -6.7298 -2.9886 H 1 noname 0.0624 33 H10 -4.7237 -7.3063 -2.5688 H 1 noname 0.0638 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 1 5 4 6 1 6 5 7 1 7 5 6 2 8 6 8 1 9 7 9 1 10 7 10 2 11 8 11 2 12 8 12 2 13 8 13 1 14 10 14 1 15 10 13 1 16 13 15 1 17 14 16 2 18 14 17 1 19 17 18 1 20 18 19 2 21 18 20 1 22 19 21 1 23 20 22 2 24 21 23 2 25 22 23 1 26 4 24 1 27 9 25 1 28 15 26 1 29 15 27 1 30 15 28 1 31 17 29 1 32 20 30 1 33 21 31 1 34 22 32 1 35 23 33 1 @SUBSTRUCTURE 1 noname 1