@MOLECULE rol 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.0671 2.8463 -0.8223 Cl 1 UNL1111 -0.0117 2 CL -3.4139 -1.9056 1.1897 Cl 1 UNL1111 -0.0350 3 CL -4.7326 0.3122 -0.5816 Cl 1 UNL1111 -0.0267 4 CL 3.2243 0.7801 2.3086 Cl 1 UNL1111 -0.0650 5 P 1.9433 -0.7626 -1.2447 P.3 1 UNL1111 0.3023 6 O 1.9074 0.5275 -0.2560 O.2 1 UNL1111 -0.2284 7 O 3.4911 -0.7579 -1.5898 O.3 1 UNL1111 -0.1449 8 O 1.7134 -1.9170 -0.1550 O.3 1 UNL1111 -0.2828 9 O 1.1333 -0.6814 -2.4451 O.2 1 UNL1111 -0.2092 10 C -0.3964 0.5604 0.5172 C.ar 1 UNL1111 -0.0741 11 C 1.0495 0.6010 0.8046 C.2 1 UNL1111 0.2512 12 C -0.9987 1.5401 -0.2718 C.ar 1 UNL1111 0.0504 13 C -1.1622 -0.5098 0.9844 C.ar 1 UNL1111 -0.1082 14 C -2.5061 -0.5781 0.6360 C.ar 1 UNL1111 -0.0396 15 C -2.3445 1.4825 -0.6195 C.ar 1 UNL1111 -0.1802 16 C -3.0900 0.4044 -0.1550 C.ar 1 UNL1111 0.0106 17 C 1.5450 0.8379 2.0281 C.2 1 UNL1111 -0.2578 18 C 4.5143 -0.6698 -0.5708 C.3 1 UNL1111 -0.1937 19 C 0.9337 -3.0882 -0.4630 C.3 1 UNL1111 -0.1600 20 H -0.6972 -1.2850 1.6010 H 1 UNL1111 0.1880 21 H -2.7991 2.2551 -1.2454 H 1 UNL1111 0.1949 22 H 0.9697 1.0912 2.9038 H 1 UNL1111 0.1833 23 H 5.3845 -0.9961 -1.1680 H 1 UNL1111 0.1408 24 H 4.3920 -1.3310 0.2961 H 1 UNL1111 0.1415 25 H 4.6487 0.3711 -0.2414 H 1 UNL1111 0.1464 26 H 1.4262 -3.7472 -1.1914 H 1 UNL1111 0.1338 27 H -0.0989 -2.8786 -0.7757 H 1 UNL1111 0.1355 28 H 0.9336 -3.5661 0.5332 H 1 UNL1111 0.1385 @BOND 1 1 12 1 2 2 14 1 3 3 16 1 4 4 17 1 5 5 6 1 6 5 7 1 7 5 8 1 8 5 9 2 9 6 11 1 10 7 18 1 11 8 19 1 12 10 11 1 13 10 12 ar 14 10 13 ar 15 11 17 2 16 12 15 ar 17 13 14 ar 18 13 20 1 19 14 16 ar 20 15 16 ar 21 15 21 1 22 17 22 1 23 18 23 1 24 18 24 1 25 18 25 1 26 19 26 1 27 19 27 1 28 19 28 1