@MOLECULE (3s)-3-amino-1-(cyclopropylamino)-2,2-heptanediol 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.8773 0.4879 -0.9367 C.3 1 UNL1111111111 -0.3847 2 C -5.2392 -0.3529 0.2649 C.3 1 UNL1111111111 -0.3379 3 C -3.9389 0.4272 0.2643 C.3 1 UNL1111111111 0.0358 4 N 0.9363 1.7962 0.3989 N.3 1 UNL1111111111 -0.6486 5 C 1.0279 0.5014 -0.3052 C.3 1 UNL1111111111 -0.0034 6 C -0.2802 -0.2785 0.0178 C.3 1 UNL1111111111 0.5075 7 C -1.5802 0.4852 -0.3196 C.3 1 UNL1111111111 -0.1785 8 N -2.6979 -0.3163 0.2294 N.3 1 UNL1111111111 -0.5369 9 O -0.3251 -1.4518 -0.7624 O.3 1 UNL1111111111 -0.6202 10 O -0.2072 -0.6392 1.3660 O.3 1 UNL1111111111 -0.6058 11 C 2.2499 -0.3479 0.0960 C.3 1 UNL1111111111 -0.3236 12 C 3.5634 0.3153 -0.3295 C.3 1 UNL1111111111 -0.2706 13 C 4.7629 -0.5422 0.0977 C.3 1 UNL1111111111 -0.2503 14 C 6.0794 0.1513 -0.2519 C.3 1 UNL1111111111 -0.4399 15 H -5.4286 1.3980 -1.1456 H 1 UNL1111111111 0.1597 16 H -4.5998 0.0035 -1.8666 H 1 UNL1111111111 0.1606 17 H -5.2262 -1.4365 0.1889 H 1 UNL1111111111 0.1611 18 H -6.0476 -0.0421 0.9202 H 1 UNL1111111111 0.1604 19 H -3.8508 1.3153 0.9079 H 1 UNL1111111111 0.1631 20 H 0.8297 1.6581 1.3953 H 1 UNL1111111111 0.2611 21 H 1.7498 2.3674 0.2358 H 1 UNL1111111111 0.2509 22 H 1.0514 0.7051 -1.4069 H 1 UNL1111111111 0.1572 23 H -1.6494 0.6511 -1.4141 H 1 UNL1111111111 0.1445 24 H -1.5516 1.4887 0.1641 H 1 UNL1111111111 0.1799 25 H -2.7810 -1.1996 -0.2800 H 1 UNL1111111111 0.2739 26 H 0.1230 -2.1963 -0.3152 H 1 UNL1111111111 0.3433 27 H -1.1099 -0.8091 1.7350 H 1 UNL1111111111 0.3643 28 H 2.1730 -1.3498 -0.3684 H 1 UNL1111111111 0.1495 29 H 2.2408 -0.5244 1.1898 H 1 UNL1111111111 0.1588 30 H 3.6530 1.3230 0.1158 H 1 UNL1111111111 0.1300 31 H 3.5782 0.4647 -1.4258 H 1 UNL1111111111 0.1393 32 H 4.7141 -1.5327 -0.3932 H 1 UNL1111111111 0.1367 33 H 4.7190 -0.7412 1.1857 H 1 UNL1111111111 0.1360 34 H 6.9398 -0.4637 0.0356 H 1 UNL1111111111 0.1424 35 H 6.1588 0.3441 -1.3277 H 1 UNL1111111111 0.1429 36 H 6.1774 1.1130 0.2642 H 1 UNL1111111111 0.1416 @BOND 1 1 2 1 2 1 3 1 3 1 15 1 4 1 16 1 5 2 3 1 6 2 17 1 7 2 18 1 8 3 8 1 9 3 19 1 10 4 5 1 11 4 20 1 12 4 21 1 13 5 6 1 14 5 11 1 15 5 22 1 16 6 7 1 17 6 9 1 18 6 10 1 19 7 8 1 20 7 23 1 21 7 24 1 22 8 25 1 23 9 26 1 24 10 27 1 25 11 12 1 26 11 28 1 27 11 29 1 28 12 13 1 29 12 30 1 30 12 31 1 31 13 14 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 14 36 1