@MOLECULE phorate 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.7583 0.0822 1.0470 S.3 1 UNL11 0.2159 2 S -3.4176 -0.8204 0.0787 S.3 1 UNL11 0.0177 3 S 2.5565 0.9233 1.7303 S.2 1 UNL11 -0.1622 4 P 1.2940 0.1400 0.5459 P.3 1 UNL11 0.1318 5 O 1.3654 -1.4386 0.2282 O.3 1 UNL11 -0.3798 6 O 1.0568 0.7469 -0.9299 O.3 1 UNL11 -0.3816 7 C 2.5106 -2.2117 -0.1464 C.3 1 UNL11 0.0202 8 C 2.0536 1.1504 -1.8767 C.3 1 UNL11 0.0266 9 C -1.6547 -0.7413 -0.3574 C.3 1 UNL11 -0.3752 10 C -4.0295 0.8592 -0.3634 C.3 1 UNL11 -0.3005 11 C 2.3828 -2.5582 -1.6276 C.3 1 UNL11 -0.4744 12 C 2.3281 2.6445 -1.7448 C.3 1 UNL11 -0.4799 13 C -5.5480 0.8354 -0.3708 C.3 1 UNL11 -0.4371 14 H 2.3687 -3.1099 0.4976 H 1 UNL11 0.1329 15 H 3.4937 -1.7660 0.0882 H 1 UNL11 0.1242 16 H 1.5088 0.9188 -2.8212 H 1 UNL11 0.1276 17 H 2.9852 0.5570 -1.8538 H 1 UNL11 0.1179 18 H -1.4866 -0.2154 -1.3143 H 1 UNL11 0.1816 19 H -1.3007 -1.7830 -0.5021 H 1 UNL11 0.1937 20 H -3.6518 1.5962 0.3704 H 1 UNL11 0.1622 21 H -3.6354 1.1621 -1.3497 H 1 UNL11 0.1521 22 H 3.0403 -3.3922 -1.8938 H 1 UNL11 0.1485 23 H 1.3525 -2.8502 -1.8721 H 1 UNL11 0.1586 24 H 2.6350 -1.7105 -2.2735 H 1 UNL11 0.1489 25 H 2.7016 3.0610 -2.6857 H 1 UNL11 0.1458 26 H 1.4130 3.1910 -1.4775 H 1 UNL11 0.1647 27 H 3.0692 2.8648 -0.9666 H 1 UNL11 0.1612 28 H -5.9553 0.1569 -1.1326 H 1 UNL11 0.1541 29 H -5.9721 0.5330 0.5964 H 1 UNL11 0.1549 30 H -5.9508 1.8342 -0.5899 H 1 UNL11 0.1496 @BOND 1 1 4 1 2 1 9 1 3 2 9 1 4 2 10 1 5 3 4 2 6 4 5 1 7 4 6 1 8 5 7 1 9 6 8 1 10 7 11 1 11 7 14 1 12 7 15 1 13 8 12 1 14 8 16 1 15 8 17 1 16 9 18 1 17 9 19 1 18 10 13 1 19 10 20 1 20 10 21 1 21 11 22 1 22 11 23 1 23 11 24 1 24 12 25 1 25 12 26 1 26 12 27 1 27 13 28 1 28 13 29 1 29 13 30 1