@MOLECULE thiepane 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8336 0.7480 0.1714 C.3 1 UNL111111111 -0.2689 2 C -1.8354 -0.7462 -0.1683 C.3 1 UNL111111111 -0.2689 3 C -0.6627 -1.5167 0.4550 C.3 1 UNL111111111 -0.2643 4 C 0.6071 -1.4254 -0.3826 C.3 1 UNL111111111 -0.3064 5 S 1.6950 -0.0012 0.0017 S.3 1 UNL111111111 -0.0749 6 C 0.6094 1.4271 0.3781 C.3 1 UNL111111111 -0.3066 7 C -0.6621 1.5158 -0.4572 C.3 1 UNL111111111 -0.2642 8 H -2.7867 1.1935 -0.1792 H 1 UNL111111111 0.1345 9 H -1.8339 0.8847 1.2695 H 1 UNL111111111 0.1395 10 H -2.7876 -1.1903 0.1866 H 1 UNL111111111 0.1345 11 H -1.8411 -0.8827 -1.2664 H 1 UNL111111111 0.1394 12 H -0.4908 -1.1763 1.4946 H 1 UNL111111111 0.1513 13 H -0.9490 -2.5858 0.5534 H 1 UNL111111111 0.1380 14 H 1.2448 -2.3176 -0.2202 H 1 UNL111111111 0.1586 15 H 0.3647 -1.4061 -1.4611 H 1 UNL111111111 0.1554 16 H 0.3689 1.4149 1.4572 H 1 UNL111111111 0.1554 17 H 1.2480 2.3174 0.2091 H 1 UNL111111111 0.1585 18 H -0.4923 1.1717 -1.4959 H 1 UNL111111111 0.1512 19 H -0.9480 2.5846 -0.5591 H 1 UNL111111111 0.1380 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 7 1 8 1 8 1 9 1 9 1 10 2 10 1 11 2 11 1 12 3 12 1 13 3 13 1 14 4 14 1 15 4 15 1 16 6 16 1 17 6 17 1 18 7 18 1 19 7 19 1