@MOLECULE 3,3-dimethyl-1-pentene 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0829 0.4640 -0.0010 C.3 1 UNL1111111 0.0880 2 C 1.4033 0.2894 0.4028 C.3 1 UNL1111111 -0.2713 3 C -0.2116 0.4791 -1.5301 C.3 1 UNL1111111 -0.4557 4 C -0.5885 1.8143 0.5499 C.3 1 UNL1111111 -0.4633 5 C -0.9004 -0.6197 0.6530 C.2 1 UNL1111111 -0.1239 6 C 1.9737 -1.0698 -0.0002 C.3 1 UNL1111111 -0.4370 7 C -1.7573 -1.4320 0.0367 C.2 1 UNL1111111 -0.3438 8 H 2.0030 1.0976 -0.0563 H 1 UNL1111111 0.1373 9 H 1.5047 0.4247 1.4965 H 1 UNL1111111 0.1346 10 H -1.2429 0.6784 -1.8410 H 1 UNL1111111 0.1457 11 H 0.4219 1.2547 -1.9728 H 1 UNL1111111 0.1436 12 H 0.0873 -0.4805 -1.9658 H 1 UNL1111111 0.1485 13 H -1.6531 1.9519 0.3307 H 1 UNL1111111 0.1498 14 H -0.4651 1.8799 1.6352 H 1 UNL1111111 0.1439 15 H -0.0468 2.6527 0.1012 H 1 UNL1111111 0.1464 16 H -0.7378 -0.6910 1.7308 H 1 UNL1111111 0.1381 17 H 2.0585 -1.1645 -1.0884 H 1 UNL1111111 0.1431 18 H 2.9726 -1.2202 0.4231 H 1 UNL1111111 0.1390 19 H 1.3384 -1.8924 0.3498 H 1 UNL1111111 0.1488 20 H -2.3265 -2.1893 0.5524 H 1 UNL1111111 0.1418 21 H -1.9633 -1.4131 -1.0208 H 1 UNL1111111 0.1464 @BOND 1 11 3 1 2 12 3 1 3 10 3 1 4 3 1 1 5 17 6 1 6 21 7 1 7 8 2 1 8 1 2 1 9 1 4 1 10 1 5 1 11 6 19 1 12 6 2 1 13 6 18 1 14 7 20 1 15 7 5 2 16 15 4 1 17 13 4 1 18 2 9 1 19 4 14 1 20 5 16 1