@MOLECULE n-isopropyl-1-propanamine 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4170 0.2225 0.1492 C.3 1 UNL111111111 -0.4384 2 C 2.1454 -0.4650 -0.3412 C.3 1 UNL111111111 -0.2654 3 C 0.9022 0.2060 0.2714 C.3 1 UNL111111111 -0.1052 4 N -0.3031 -0.5272 -0.1769 N.3 1 UNL111111111 -0.5725 5 C -1.5611 0.0425 0.3516 C.3 1 UNL111111111 0.1009 6 C -1.9161 1.4182 -0.2471 C.3 1 UNL111111111 -0.5052 7 C -2.6853 -0.9630 0.0478 C.3 1 UNL111111111 -0.4612 8 H 3.4500 1.2750 -0.1534 H 1 UNL111111111 0.1416 9 H 3.4960 0.1885 1.2421 H 1 UNL111111111 0.1441 10 H 4.3107 -0.2645 -0.2579 H 1 UNL111111111 0.1438 11 H 2.0939 -0.4355 -1.4448 H 1 UNL111111111 0.1335 12 H 2.1546 -1.5395 -0.0691 H 1 UNL111111111 0.1528 13 H 0.9474 0.1454 1.3811 H 1 UNL111111111 0.1393 14 H 0.8793 1.2837 0.0052 H 1 UNL111111111 0.1100 15 H -0.3309 -0.6040 -1.1903 H 1 UNL111111111 0.2557 16 H -1.4477 0.1418 1.4623 H 1 UNL111111111 0.1329 17 H -1.1665 2.1728 0.0086 H 1 UNL111111111 0.1452 18 H -1.9880 1.3754 -1.3380 H 1 UNL111111111 0.1477 19 H -2.8804 1.7719 0.1315 H 1 UNL111111111 0.1522 20 H -2.4129 -1.9624 0.4129 H 1 UNL111111111 0.1609 21 H -3.6205 -0.6687 0.5323 H 1 UNL111111111 0.1432 22 H -2.8738 -1.0498 -1.0265 H 1 UNL111111111 0.1442 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 1 8 1 8 1 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 5 16 1 16 6 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 7 22 1