@MOLECULE 1-chloro-4-methylpentane 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2166 -0.0761 0.3546 C.3 1 UNL111111111 -0.0563 2 C 2.4484 -1.4566 -0.2699 C.3 1 UNL111111111 -0.4540 3 C 3.4521 0.8077 0.1385 C.3 1 UNL111111111 -0.4569 4 C 0.9795 0.6088 -0.2590 C.3 1 UNL111111111 -0.2863 5 C -0.3208 -0.0683 0.1941 C.3 1 UNL111111111 -0.2947 6 C -1.5152 0.6692 -0.3824 C.3 1 UNL111111111 -0.1609 7 CL -3.0030 -0.1893 0.1107 Cl 1 UNL111111111 -0.1844 8 H 2.0540 -0.1996 1.4528 H 1 UNL111111111 0.1313 9 H 3.3388 -1.9368 0.1506 H 1 UNL111111111 0.1441 10 H 1.6008 -2.1268 -0.0908 H 1 UNL111111111 0.1436 11 H 2.5930 -1.3889 -1.3535 H 1 UNL111111111 0.1454 12 H 3.6471 0.9727 -0.9264 H 1 UNL111111111 0.1452 13 H 3.3323 1.7885 0.6105 H 1 UNL111111111 0.1421 14 H 4.3483 0.3457 0.5672 H 1 UNL111111111 0.1449 15 H 0.9669 1.6763 0.0328 H 1 UNL111111111 0.1392 16 H 1.0546 0.5965 -1.3621 H 1 UNL111111111 0.1418 17 H -0.3252 -1.1314 -0.1237 H 1 UNL111111111 0.1582 18 H -0.3706 -0.0921 1.3019 H 1 UNL111111111 0.1555 19 H -1.6118 1.6969 0.0010 H 1 UNL111111111 0.1509 20 H -1.5207 0.6838 -1.4836 H 1 UNL111111111 0.1512 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 8 1 8 2 9 1 9 2 10 1 10 2 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1