@MOLECULE DB07312 29 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.6082 3.4095 1.7225 Cl 1 noname -0.0644 2 C1 3.1187 3.9294 2.3198 C.2 1 noname 0.0592 3 C2 1.9575 3.6926 1.5933 C.2 1 noname 0.0578 4 C3 3.0525 4.5946 3.5385 C.2 1 noname 0.0040 5 S1 2.0399 2.8647 0.0765 S 1 noname -0.0709 6 C4 0.7302 4.1210 2.0855 C.2 1 noname 0.0539 7 C5 1.8251 5.0230 4.0307 C.2 1 noname 0.0115 8 O1 2.8067 3.7711 -0.9811 O.2 1 noname -0.1908 9 O2 0.5678 2.5697 -0.4469 O.2 1 noname -0.1908 10 N1 2.8651 1.4147 0.2741 N.3 1 noname 0.1456 11 C6 0.6640 4.7862 3.3043 C.2 1 noname 0.0121 12 C7 2.9115 0.7641 -0.8965 C.2 1 noname 0.1449 13 Cl2 -0.8256 5.3061 3.9016 Cl 1 noname -0.0815 14 O3 2.3701 1.2180 -2.0585 O.3 1 noname -0.3263 15 N2 3.5028 -0.4358 -1.0890 N.2 1 noname -0.1743 16 C8 2.6225 0.2781 -2.9978 C.2 1 noname 0.0505 17 C9 3.3119 -0.7736 -2.3732 C.2 1 noname 0.0549 18 C10 2.2338 0.2261 -4.3719 C.2 1 noname 0.0110 19 C11 3.6258 -1.9890 -3.0621 C.2 1 noname 0.0309 20 C12 2.5657 -0.9687 -5.0793 C.2 1 noname -0.0062 21 C13 3.2352 -2.0598 -4.4330 C.2 1 noname 0.0074 22 Cl3 3.5688 -3.4595 -5.3136 Cl 1 noname -0.0811 23 H1 3.9630 4.7803 4.1082 H 1 noname 0.0639 24 H2 -0.1803 3.9353 1.5159 H 1 noname 0.0655 25 H3 1.7732 5.5446 4.9864 H 1 noname 0.0638 26 H4 3.3107 0.9574 1.0567 H 1 noname 0.1543 27 H5 1.7125 1.0530 -4.8542 H 1 noname 0.0651 28 H6 4.1353 -2.8168 -2.5689 H 1 noname 0.0661 29 H7 2.3028 -1.0496 -6.1340 H 1 noname 0.0639 @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 2 8 5 9 2 9 5 10 1 10 6 11 2 11 7 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 12 15 2 16 14 16 1 17 15 17 1 18 16 18 1 19 16 17 2 20 17 19 1 21 18 20 2 22 19 21 2 23 20 21 1 24 21 22 1 25 4 23 1 26 6 24 1 27 7 25 1 28 10 26 1 29 18 27 1 30 19 28 1 31 20 29 1 @SUBSTRUCTURE 1 noname 1