@MOLECULE DB06891 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.6747 -1.0276 -2.5415 Cl 1 noname -0.0752 2 C1 -0.0943 0.5510 -2.4106 C.2 1 noname 0.0144 3 C2 0.5868 1.1689 -3.5077 C.2 1 noname 0.0744 4 C3 -0.2746 1.2931 -1.2024 C.2 1 noname 0.0400 5 N1 0.7629 0.4702 -4.6375 N.3 1 noname -0.1247 6 C4 1.0862 2.5099 -3.4374 C.2 1 noname 0.0403 7 C5 0.2344 2.6399 -1.1276 C.2 1 noname 0.0086 8 F1 1.6948 3.0396 -4.4580 F 1 noname -0.1601 9 C6 0.9083 3.2590 -2.2336 C.2 1 noname 0.0629 10 S1 0.0431 3.5608 0.3725 S 1 noname -0.0865 11 O1 1.3227 3.3565 1.3147 O.2 1 noname -0.1933 12 O2 -0.1671 5.1358 0.0891 O.2 1 noname -0.1933 13 N2 -1.3063 2.9299 1.2232 N.3 1 noname 0.1394 14 C7 -1.6826 3.4767 2.3853 C.2 1 noname 0.1737 15 S2 -2.9123 2.9719 3.5274 S.3 1 noname -0.0618 16 N3 -1.2218 4.5896 2.9868 N.2 1 noname -0.1187 17 C8 -2.7749 4.2867 4.6954 C.2 1 noname 0.1612 18 N4 -1.7617 4.9859 4.1275 N.2 1 noname -0.0869 19 S3 -3.6713 4.5941 6.1427 S 1 noname -0.0660 20 O3 -4.0350 3.2143 6.8441 O.2 1 noname -0.1835 21 O4 -2.7938 5.4766 7.1323 O.2 1 noname -0.1835 22 N5 -5.1286 5.4437 5.7498 N.3 1 noname 0.0033 23 H1 -0.7900 0.8409 -0.3551 H 1 noname 0.0655 24 H2 -0.0349 0.2068 -5.1980 H 1 noname 0.1244 25 H3 1.6936 0.2068 -4.9285 H 1 noname 0.1244 26 H4 1.2789 4.2814 -2.1605 H 1 noname 0.0670 27 H5 -1.9367 2.1671 1.0214 H 1 noname 0.1531 28 H6 -5.1130 6.4470 5.6352 H 1 noname 0.1404 29 H7 -5.9940 4.9357 5.6352 H 1 noname 0.1404 @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 6 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 2 12 10 12 2 13 10 13 1 14 13 14 1 15 14 15 1 16 14 16 2 17 15 17 1 18 16 18 1 19 17 19 1 20 17 18 2 21 19 20 2 22 19 21 2 23 19 22 1 24 4 23 1 25 5 24 1 26 5 25 1 27 9 26 1 28 13 27 1 29 22 28 1 30 22 29 1 @SUBSTRUCTURE 1 noname 1