@MOLECULE mops 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.0463 0.5088 0.0421 S.3 1 UNL1 2.4183 2 O 3.3318 0.9945 -0.2012 O.3 1 UNL1 -0.3850 3 O -1.5468 0.8519 -1.2701 O.3 1 UNL1 -0.9338 4 O -3.3210 0.9977 0.4978 O.3 1 UNL1 -0.8840 5 O -0.9115 0.9424 1.1400 O.3 1 UNL1 -0.8494 6 N 1.1021 -0.7227 0.1328 N.3 1 UNL1 -0.4337 7 C 0.4202 -2.0428 0.0704 C.3 1 UNL1 -0.1296 8 C 1.5141 -0.2509 -1.2147 C.3 1 UNL1 -0.1743 9 C 2.2876 -0.8077 1.0278 C.3 1 UNL1 -0.1740 10 C -0.9583 -1.9643 -0.6176 C.3 1 UNL1 -0.2586 11 C 2.2197 1.1085 -1.0702 C.3 1 UNL1 -0.0465 12 C 2.9469 0.5829 1.0948 C.3 1 UNL1 -0.0483 13 C -2.0321 -1.2747 0.2221 C.3 1 UNL1 -0.5962 14 H 0.0023 0.6045 0.9207 H 1 UNL1 0.4151 15 H 1.0426 -2.8024 -0.4528 H 1 UNL1 0.1202 16 H 0.2871 -2.4116 1.1127 H 1 UNL1 0.1415 17 H 0.5993 -0.1188 -1.8433 H 1 UNL1 0.1808 18 H 2.1780 -0.9725 -1.7315 H 1 UNL1 0.1255 19 H 3.0293 -1.5569 0.6800 H 1 UNL1 0.1317 20 H 1.9512 -1.1155 2.0401 H 1 UNL1 0.1438 21 H -0.8637 -1.4892 -1.6195 H 1 UNL1 0.1709 22 H -1.2853 -3.0045 -0.8340 H 1 UNL1 0.1423 23 H 2.6778 1.4366 -2.0201 H 1 UNL1 0.1432 24 H 1.5316 1.8911 -0.7004 H 1 UNL1 0.1427 25 H 2.2757 1.3363 1.5458 H 1 UNL1 0.1352 26 H 3.9041 0.5590 1.6451 H 1 UNL1 0.1417 27 H -1.9173 -1.5369 1.2927 H 1 UNL1 0.1809 28 H -3.0329 -1.6663 -0.0540 H 1 UNL1 0.1797 @BOND 1 23 11 1 2 17 8 1 3 18 8 1 4 21 10 1 5 3 1 1 6 8 11 1 7 8 6 1 8 11 24 1 9 11 2 1 10 22 10 1 11 10 7 1 12 10 13 1 13 15 7 1 14 2 12 1 15 28 13 1 16 1 13 1 17 1 4 1 18 1 5 1 19 7 6 1 20 7 16 1 21 6 9 1 22 13 27 1 23 19 9 1 24 14 5 1 25 9 12 1 26 9 20 1 27 12 25 1 28 12 26 1