@MOLECULE butylisopropylamine 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1131 0.1554 -0.2551 C.3 1 UNL111111111 -0.4370 2 C 2.8207 -0.3335 0.3986 C.3 1 UNL111111111 -0.2493 3 C 1.5955 0.2991 -0.2711 C.3 1 UNL111111111 -0.2866 4 C 0.3062 -0.1907 0.4111 C.3 1 UNL111111111 -0.1079 5 N -0.8610 0.3738 -0.3025 N.3 1 UNL111111111 -0.5782 6 C -2.1513 -0.0301 0.3157 C.3 1 UNL111111111 0.1016 7 C -3.2076 1.0552 0.0502 C.3 1 UNL111111111 -0.4788 8 C -2.5877 -1.3609 -0.3212 C.3 1 UNL111111111 -0.4552 9 H 4.2179 1.2429 -0.1729 H 1 UNL111111111 0.1424 10 H 4.9920 -0.2970 0.2172 H 1 UNL111111111 0.1396 11 H 4.1438 -0.0988 -1.3208 H 1 UNL111111111 0.1442 12 H 2.7595 -1.4367 0.3328 H 1 UNL111111111 0.1351 13 H 2.8315 -0.0932 1.4787 H 1 UNL111111111 0.1324 14 H 1.6600 1.4010 -0.2295 H 1 UNL111111111 0.1361 15 H 1.5657 0.0402 -1.3479 H 1 UNL111111111 0.1557 16 H 0.2416 -1.2997 0.3460 H 1 UNL111111111 0.1405 17 H 0.3193 0.0716 1.4906 H 1 UNL111111111 0.1070 18 H -0.7852 1.3843 -0.3826 H 1 UNL111111111 0.2570 19 H -2.0485 -0.1718 1.4232 H 1 UNL111111111 0.1071 20 H -3.3016 1.2576 -1.0242 H 1 UNL111111111 0.1596 21 H -4.1919 0.7395 0.4113 H 1 UNL111111111 0.1507 22 H -2.9583 1.9967 0.5486 H 1 UNL111111111 0.1413 23 H -1.8733 -2.1601 -0.0988 H 1 UNL111111111 0.1445 24 H -3.5724 -1.6708 0.0360 H 1 UNL111111111 0.1374 25 H -2.6282 -1.2691 -1.4142 H 1 UNL111111111 0.1606 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 8 25 1