@MOLECULE n-dodecylpropylenediamine 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.1529 0.4516 0.1938 N.3 1 UNL1111111111 -0.5692 2 N 8.9153 0.2862 -0.1829 N.3 1 UNL1111111111 -0.6321 3 C -1.0641 -0.2808 -0.3992 C.3 1 UNL1111111111 -0.2728 4 C -2.3297 0.4356 0.0904 C.3 1 UNL1111111111 -0.2737 5 C 0.1914 0.5034 0.0039 C.3 1 UNL1111111111 -0.2685 6 C -3.5852 -0.3519 -0.3048 C.3 1 UNL1111111111 -0.2721 7 C 1.4621 -0.2173 -0.4650 C.3 1 UNL1111111111 -0.2728 8 C -4.8507 0.3635 0.1849 C.3 1 UNL1111111111 -0.2721 9 C 2.7113 0.5418 -0.0054 C.3 1 UNL1111111111 -0.2844 10 C -6.1061 -0.4250 -0.2092 C.3 1 UNL1111111111 -0.2748 11 C 3.9823 -0.2284 -0.4069 C.3 1 UNL1111111111 -0.1066 12 C -7.3715 0.2906 0.2801 C.3 1 UNL1111111111 -0.2721 13 C 6.4319 -0.2420 -0.0945 C.3 1 UNL1111111111 0.0246 14 C -8.6286 -0.4968 -0.1129 C.3 1 UNL1111111111 -0.2510 15 C 7.5933 0.7258 0.2888 C.3 1 UNL1111111111 -0.1324 16 C 6.5065 -1.5191 0.7555 C.3 1 UNL1111111111 -0.4563 17 C -9.8916 0.2140 0.3739 C.3 1 UNL1111111111 -0.4398 18 H -1.0990 -0.4026 -1.4973 H 1 UNL1111111111 0.1358 19 H -1.0233 -1.3036 0.0191 H 1 UNL1111111111 0.1364 20 H -2.3745 1.4567 -0.3318 H 1 UNL1111111111 0.1366 21 H -2.2927 0.5626 1.1886 H 1 UNL1111111111 0.1370 22 H 0.2166 0.6342 1.1025 H 1 UNL1111111111 0.1386 23 H 0.1548 1.5226 -0.4222 H 1 UNL1111111111 0.1364 24 H -3.5405 -1.3732 0.1170 H 1 UNL1111111111 0.1363 25 H -3.6231 -0.4782 -1.4031 H 1 UNL1111111111 0.1362 26 H 1.4774 -1.2493 -0.0667 H 1 UNL1111111111 0.1382 27 H 1.4578 -0.3156 -1.5663 H 1 UNL1111111111 0.1356 28 H -4.8132 0.4910 1.2829 H 1 UNL1111111111 0.1366 29 H -4.8966 1.3844 -0.2380 H 1 UNL1111111111 0.1365 30 H 2.6991 0.6769 1.0952 H 1 UNL1111111111 0.1572 31 H 2.7235 1.5596 -0.4341 H 1 UNL1111111111 0.1360 32 H -6.0606 -1.4456 0.2141 H 1 UNL1111111111 0.1363 33 H -6.1439 -0.5530 -1.3070 H 1 UNL1111111111 0.1362 34 H 4.0518 -0.3138 -1.5115 H 1 UNL1111111111 0.1083 35 H 3.9363 -1.2633 -0.0018 H 1 UNL1111111111 0.1425 36 H -7.4181 1.3114 -0.1426 H 1 UNL1111111111 0.1365 37 H -7.3346 0.4192 1.3777 H 1 UNL1111111111 0.1365 38 H 6.5242 -0.5123 -1.1781 H 1 UNL1111111111 0.1066 39 H 5.1884 1.4257 -0.1027 H 1 UNL1111111111 0.2550 40 H -8.6667 -0.6253 -1.2110 H 1 UNL1111111111 0.1335 41 H -8.5829 -1.5180 0.3103 H 1 UNL1111111111 0.1335 42 H 7.4055 1.7395 -0.1281 H 1 UNL1111111111 0.1416 43 H 7.6298 0.8499 1.3938 H 1 UNL1111111111 0.1592 44 H 6.2312 -1.3027 1.7978 H 1 UNL1111111111 0.1676 45 H 5.8129 -2.2856 0.3949 H 1 UNL1111111111 0.1451 46 H 7.5100 -1.9513 0.7530 H 1 UNL1111111111 0.1371 47 H -10.7928 -0.3439 0.0971 H 1 UNL1111111111 0.1400 48 H -9.8941 0.3241 1.4640 H 1 UNL1111111111 0.1423 49 H -9.9786 1.2167 -0.0590 H 1 UNL1111111111 0.1423 50 H 9.2135 -0.5654 0.2639 H 1 UNL1111111111 0.2475 51 H 8.9389 0.1551 -1.1803 H 1 UNL1111111111 0.2450 @BOND 1 1 11 1 2 1 13 1 3 1 39 1 4 2 15 1 5 2 50 1 6 2 51 1 7 3 4 1 8 3 5 1 9 3 18 1 10 3 19 1 11 4 6 1 12 4 20 1 13 4 21 1 14 5 7 1 15 5 22 1 16 5 23 1 17 6 8 1 18 6 24 1 19 6 25 1 20 7 9 1 21 7 26 1 22 7 27 1 23 8 10 1 24 8 28 1 25 8 29 1 26 9 11 1 27 9 30 1 28 9 31 1 29 10 12 1 30 10 32 1 31 10 33 1 32 11 34 1 33 11 35 1 34 12 14 1 35 12 36 1 36 12 37 1 37 13 15 1 38 13 16 1 39 13 38 1 40 14 17 1 41 14 40 1 42 14 41 1 43 15 42 1 44 15 43 1 45 16 44 1 46 16 45 1 47 16 46 1 48 17 47 1 49 17 48 1 50 17 49 1