@MOLECULE hept-1-en-2-amine 23 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.0878 -0.0034 -0.0911 C.3 1 UNL11111111 -0.4401 2 C 2.7273 -0.0283 0.6055 C.3 1 UNL11111111 -0.2488 3 C 1.5884 0.0320 -0.4208 C.3 1 UNL11111111 -0.2717 4 C 0.2238 0.0011 0.2778 C.3 1 UNL11111111 -0.2652 5 C -0.9092 0.0509 -0.7570 C.3 1 UNL11111111 -0.3117 6 C -2.2482 0.0771 -0.0683 C.2 1 UNL11111111 0.2598 7 C -2.8789 1.2177 0.2600 C.2 1 UNL11111111 -0.5292 8 N -2.8294 -1.1814 0.1430 N.pl3 1 UNL11111111 -0.6412 9 H 4.2200 0.9109 -0.6802 H 1 UNL11111111 0.1429 10 H 4.9068 -0.0478 0.6352 H 1 UNL11111111 0.1408 11 H 4.2051 -0.8540 -0.7716 H 1 UNL11111111 0.1421 12 H 2.6356 -0.9425 1.2216 H 1 UNL11111111 0.1333 13 H 2.6478 0.8209 1.3104 H 1 UNL11111111 0.1357 14 H 1.6810 0.9495 -1.0321 H 1 UNL11111111 0.1396 15 H 1.6737 -0.8128 -1.1293 H 1 UNL11111111 0.1370 16 H 0.1346 -0.9069 0.9014 H 1 UNL11111111 0.1337 17 H 0.1328 0.8565 0.9757 H 1 UNL11111111 0.1475 18 H -0.7988 0.9500 -1.3982 H 1 UNL11111111 0.1614 19 H -0.8362 -0.8083 -1.4537 H 1 UNL11111111 0.1544 20 H -3.8276 1.2602 0.7580 H 1 UNL11111111 0.1547 21 H -2.4876 2.1907 0.0360 H 1 UNL11111111 0.1603 22 H -2.2239 -1.9731 0.1963 H 1 UNL11111111 0.2813 23 H -3.6197 -1.2297 0.7538 H 1 UNL11111111 0.2837 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 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 5 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1