@MOLECULE tigemonam 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.7991 -0.0343 -0.3541 S.O2 1 UNL1111111111 2.5015 2 S 1.4344 4.0668 0.2536 S.2 1 UNL1111111111 0.1783 3 O -3.1360 -0.2007 -0.6036 O.3 1 UNL1111111111 -0.4551 4 O -1.7239 -2.3506 -2.1082 O.2 1 UNL1111111111 -0.3229 5 O 1.5233 -1.6494 1.8218 O.2 1 UNL1111111111 -0.4844 6 O -4.7808 1.5263 -0.9073 O.3 1 UNL1111111111 -0.8292 7 O -5.0789 -0.0330 1.0445 O.2 1 UNL1111111111 -0.8340 8 O -5.5631 -0.7673 -1.3121 O.2 1 UNL1111111111 -0.8589 9 O 4.0468 -1.2979 0.5967 O.2 1 UNL1111111111 -0.0732 10 O 7.2239 -0.8641 -0.9778 O.3 1 UNL1111111111 -0.5777 11 O 5.2452 -1.2154 -1.9481 O.2 1 UNL1111111111 -0.4557 12 N -2.8086 -1.4685 -0.1371 N.am 1 UNL1111111111 -0.3377 13 N 0.3865 -1.1375 -0.0884 N.am 1 UNL1111111111 -0.5486 14 N 3.6448 0.0096 0.4500 N.2 1 UNL1111111111 -0.1597 15 N 0.5283 1.6427 -0.1359 N.ar 1 UNL1111111111 -0.5595 16 N -1.1383 3.2523 -0.5538 N.pl3 1 UNL1111111111 -0.5655 17 C -1.9068 -1.4232 1.1001 C.3 1 UNL1111111111 0.2035 18 C -0.7098 -2.0250 0.2133 C.3 1 UNL1111111111 -0.0563 19 C -1.7177 -2.0278 -0.9743 C.2 1 UNL1111111111 0.5140 20 C -2.4353 -2.4261 2.1080 C.3 1 UNL1111111111 -0.4668 21 C -1.6748 -0.0664 1.7099 C.3 1 UNL1111111111 -0.4845 22 C 1.3899 -0.9457 0.8461 C.2 1 UNL1111111111 0.5679 23 C 2.3649 0.1731 0.5315 C.2 1 UNL1111111111 0.0103 24 C 1.8350 1.5307 0.3546 C.ar 1 UNL1111111111 0.1750 25 C 2.4773 2.7121 0.6036 C.ar 1 UNL1111111111 -0.3443 26 C 0.1404 2.9113 -0.2374 C.ar 1 UNL1111111111 0.2953 27 C 5.4706 -1.3353 0.4895 C.3 1 UNL1111111111 -0.1587 28 C 5.8908 -1.1392 -0.9436 C.2 1 UNL1111111111 0.6134 29 H -0.3511 -3.0145 0.5576 H 1 UNL1111111111 0.1877 30 H -2.6671 -3.3993 1.6572 H 1 UNL1111111111 0.1572 31 H -1.7068 -2.5920 2.9127 H 1 UNL1111111111 0.1638 32 H -3.3669 -2.0665 2.5725 H 1 UNL1111111111 0.1762 33 H -2.5721 0.2994 2.2327 H 1 UNL1111111111 0.1781 34 H -0.8582 -0.0978 2.4454 H 1 UNL1111111111 0.1676 35 H -1.4061 0.6956 0.9658 H 1 UNL1111111111 0.1721 36 H 0.1773 -0.3576 -0.7220 H 1 UNL1111111111 0.3437 37 H -5.2542 1.6788 -1.7411 H 1 UNL1111111111 0.3915 38 H 3.4883 2.8356 0.9536 H 1 UNL1111111111 0.2051 39 H 5.9506 -0.5962 1.1632 H 1 UNL1111111111 0.1869 40 H 5.7043 -2.3606 0.8474 H 1 UNL1111111111 0.1849 41 H -1.3595 4.1471 -0.9377 H 1 UNL1111111111 0.3131 42 H -1.7969 2.5075 -0.7372 H 1 UNL1111111111 0.3273 43 H 7.5776 -0.7195 -1.8879 H 1 UNL1111111111 0.3585 @BOND 1 1 3 1 2 1 6 1 3 1 7 2 4 1 8 2 5 2 25 ar 6 2 26 ar 7 3 12 1 8 4 19 2 9 5 22 2 10 6 37 1 11 9 14 1 12 9 27 1 13 10 28 1 14 10 43 1 15 11 28 2 16 12 17 1 17 12 19 am 18 13 18 1 19 13 22 am 20 13 36 1 21 14 23 2 22 15 24 ar 23 15 26 ar 24 16 26 1 25 16 41 1 26 16 42 1 27 17 18 1 28 17 20 1 29 17 21 1 30 18 19 1 31 18 29 1 32 20 30 1 33 20 31 1 34 20 32 1 35 21 33 1 36 21 34 1 37 21 35 1 38 22 23 1 39 23 24 1 40 24 25 ar 41 25 38 1 42 27 28 1 43 27 39 1 44 27 40 1