@MOLECULE bms-564,929 33 35 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.6515 1.7324 -0.4622 Cl 1 UNL1111111 -0.0333 2 O 2.9498 1.8630 -0.8154 O.3 1 UNL1111111 -0.5346 3 O 1.1083 1.3686 1.8058 O.2 1 UNL1111111 -0.3884 4 O 1.5392 -2.2944 -0.9407 O.2 1 UNL1111111 -0.4351 5 N 3.1432 -1.1210 0.3094 N.am 1 UNL1111111 -0.4563 6 N 0.9467 -0.4209 0.3295 N.am 1 UNL1111111 -0.5713 7 N -5.7937 -1.0843 -0.0372 N.1 1 UNL1111111 -0.2178 8 C 3.1193 0.2170 0.9676 C.3 1 UNL1111111 -0.1196 9 C 3.8596 1.1826 0.0022 C.3 1 UNL1111111 0.1577 10 C 4.7820 0.2689 -0.8305 C.3 1 UNL1111111 -0.3695 11 C 4.2876 -1.1792 -0.6247 C.3 1 UNL1111111 -0.0813 12 C 1.6316 0.5356 1.1306 C.2 1 UNL1111111 0.5714 13 C 1.8461 -1.3923 -0.2131 C.2 1 UNL1111111 0.6669 14 C -0.4634 -0.5292 0.2180 C.ar 1 UNL1111111 0.2086 15 C -1.2466 0.5982 -0.1042 C.ar 1 UNL1111111 -0.0042 16 C -1.0491 -1.7875 0.4244 C.ar 1 UNL1111111 -0.1824 17 C -2.6278 0.4100 -0.1431 C.ar 1 UNL1111111 0.0214 18 C -0.6577 1.9309 -0.3862 C.3 1 UNL1111111 -0.4415 19 C -2.4264 -1.9406 0.3459 C.ar 1 UNL1111111 -0.0833 20 C -3.2313 -0.8297 0.0718 C.ar 1 UNL1111111 -0.0623 21 C -4.6432 -0.9705 0.0119 C.1 1 UNL1111111 0.1180 22 H 3.6250 0.1522 1.9603 H 1 UNL1111111 0.1970 23 H 4.3841 2.0074 0.5275 H 1 UNL1111111 0.1655 24 H 5.8338 0.3781 -0.5164 H 1 UNL1111111 0.1646 25 H 4.7595 0.5656 -1.8948 H 1 UNL1111111 0.1725 26 H 4.0105 -1.6786 -1.5766 H 1 UNL1111111 0.1619 27 H 5.0685 -1.8141 -0.1471 H 1 UNL1111111 0.1638 28 H 2.4529 1.2498 -1.3992 H 1 UNL1111111 0.3217 29 H -0.4169 -2.6531 0.6410 H 1 UNL1111111 0.1878 30 H -0.6685 2.5659 0.5215 H 1 UNL1111111 0.1916 31 H 0.3900 1.8874 -0.7145 H 1 UNL1111111 0.1592 32 H -1.1950 2.4834 -1.1730 H 1 UNL1111111 0.1749 33 H -2.8810 -2.9211 0.5028 H 1 UNL1111111 0.1761 @BOND 1 25 10 1 2 26 11 1 3 28 2 1 4 32 18 1 5 4 13 2 6 10 11 1 7 10 24 1 8 10 9 1 9 2 9 1 10 31 18 1 11 11 27 1 12 11 5 1 13 1 17 1 14 18 15 1 15 18 30 1 16 13 5 am 17 13 6 am 18 17 15 ar 19 17 20 ar 20 15 14 ar 21 7 21 3 22 9 23 1 23 9 8 1 24 21 20 1 25 20 19 ar 26 14 6 1 27 14 16 ar 28 5 8 1 29 6 12 am 30 19 16 ar 31 19 33 1 32 16 29 1 33 8 12 1 34 8 22 1 35 12 3 2