@MOLECULE soman 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.7127 0.2021 -0.0825 P.3 1 UNL1111111111 0.2713 2 F 2.1880 -1.2439 0.2650 F 1 UNL1111111111 -0.2390 3 O 0.1835 -0.0412 -0.4607 O.3 1 UNL1111111111 -0.2595 4 O 2.3902 0.6567 -1.2921 O.2 1 UNL1111111111 -0.2364 5 C -2.0917 0.2894 -0.0153 C.3 1 UNL1111111111 0.0913 6 C -0.8420 -0.5395 0.4337 C.3 1 UNL1111111111 0.1191 7 C -1.8387 1.7813 0.2570 C.3 1 UNL1111111111 -0.4618 8 C -2.3657 0.0846 -1.5078 C.3 1 UNL1111111111 -0.4560 9 C -3.3069 -0.1586 0.8139 C.3 1 UNL1111111111 -0.4697 10 C -0.9786 -2.0399 0.1678 C.3 1 UNL1111111111 -0.4809 11 C 1.9062 1.0505 1.5034 C.3 1 UNL1111111111 -0.3667 12 H -0.6548 -0.3510 1.5136 H 1 UNL1111111111 0.1091 13 H -1.5082 1.9589 1.2833 H 1 UNL1111111111 0.1338 14 H -2.7477 2.3705 0.0955 H 1 UNL1111111111 0.1414 15 H -1.0775 2.1868 -0.4213 H 1 UNL1111111111 0.1623 16 H -1.4798 0.3352 -2.1101 H 1 UNL1111111111 0.1691 17 H -3.1885 0.7171 -1.8542 H 1 UNL1111111111 0.1393 18 H -2.6244 -0.9544 -1.7347 H 1 UNL1111111111 0.1444 19 H -4.1801 0.4657 0.5931 H 1 UNL1111111111 0.1474 20 H -3.5930 -1.1922 0.5936 H 1 UNL1111111111 0.1465 21 H -3.1139 -0.0838 1.8880 H 1 UNL1111111111 0.1399 22 H -0.2098 -2.6202 0.6928 H 1 UNL1111111111 0.1577 23 H -1.9521 -2.4239 0.4840 H 1 UNL1111111111 0.1463 24 H -0.8610 -2.2600 -0.9040 H 1 UNL1111111111 0.1710 25 H 2.9946 1.2068 1.7278 H 1 UNL1111111111 0.2001 26 H 1.4160 2.0569 1.4663 H 1 UNL1111111111 0.1926 27 H 1.4663 0.4780 2.3554 H 1 UNL1111111111 0.1874 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 11 1 5 3 6 1 6 5 6 1 7 5 7 1 8 5 8 1 9 5 9 1 10 6 10 1 11 6 12 1 12 7 13 1 13 7 14 1 14 7 15 1 15 8 16 1 16 8 17 1 17 8 18 1 18 9 19 1 19 9 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 11 27 1