@MOLECULE 2-amino-1,3-decanediol 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2180 -1.1237 -1.3076 O.3 1 UNL1111111111 -0.5678 2 O -3.8089 -1.5597 0.8340 O.3 1 UNL1111111111 -0.5570 3 N -3.5881 2.0157 -0.0180 N.3 1 UNL1111111111 -0.6496 4 C -0.9428 0.3046 0.1484 C.3 1 UNL1111111111 -0.3302 5 C 0.3598 0.0604 -0.6241 C.3 1 UNL1111111111 -0.2585 6 C -2.1389 0.1896 -0.8079 C.3 1 UNL1111111111 0.1580 7 C 1.5739 0.1762 0.3044 C.3 1 UNL1111111111 -0.2742 8 CA -3.5071 0.5570 -0.1623 C.3 1 UNL1111111111 -0.0316 9 C 2.8715 -0.1306 -0.4552 C.3 1 UNL1111111111 -0.2728 10 C 4.0918 0.1279 0.4376 C.3 1 UNL1111111111 -0.2743 11 C -3.7501 -0.1833 1.1778 C.3 1 UNL1111111111 -0.0599 12 C 5.3937 -0.2140 -0.2993 C.3 1 UNL1111111111 -0.2502 13 C 6.6098 0.0857 0.5777 C.3 1 UNL1111111111 -0.4405 14 H -1.0322 -0.4371 0.9629 H 1 UNL1111111111 0.1414 15 H -0.9236 1.3019 0.6203 H 1 UNL1111111111 0.1360 16 H 0.4485 0.7798 -1.4595 H 1 UNL1111111111 0.1383 17 H 0.3248 -0.9423 -1.0963 H 1 UNL1111111111 0.1564 18 H -1.9827 0.8035 -1.7271 H 1 UNL1111111111 0.1547 19 H 1.6209 1.1921 0.7387 H 1 UNL1111111111 0.1329 20 H 1.4673 -0.5161 1.1600 H 1 UNL1111111111 0.1338 21 HA -4.3050 0.2308 -0.8881 H 1 UNL1111111111 0.1731 22 H 2.8674 -1.1813 -0.8008 H 1 UNL1111111111 0.1386 23 H 2.9335 0.4881 -1.3697 H 1 UNL1111111111 0.1373 24 H 4.1079 1.1856 0.7596 H 1 UNL1111111111 0.1349 25 H 4.0167 -0.4694 1.3649 H 1 UNL1111111111 0.1353 26 H1 -2.9445 -0.0121 1.9090 H 1 UNL1111111111 0.1169 27 H2 -4.7205 0.0994 1.6229 H 1 UNL1111111111 0.1191 28 H 5.4573 0.3601 -1.2427 H 1 UNL1111111111 0.1340 29 H 5.3924 -1.2805 -0.5934 H 1 UNL1111111111 0.1343 30 H1 -4.5138 2.3344 0.2096 H 1 UNL1111111111 0.2556 31 H2 -2.9289 2.3841 0.6452 H 1 UNL1111111111 0.2519 32 H -2.6370 -1.7122 -0.6426 H 1 UNL1111111111 0.3388 33 H 6.6634 1.1487 0.8375 H 1 UNL1111111111 0.1416 34 H 7.5426 -0.1759 0.0662 H 1 UNL1111111111 0.1402 35 H 6.5777 -0.4814 1.5146 H 1 UNL1111111111 0.1419 36 H -3.7611 -2.1179 1.6339 H 1 UNL1111111111 0.3215 @BOND 1 1 6 1 2 1 32 1 3 2 11 1 4 2 36 1 5 3 8 1 6 3 30 1 7 3 31 1 8 4 5 1 9 4 6 1 10 4 14 1 11 4 15 1 12 5 7 1 13 5 16 1 14 5 17 1 15 6 8 1 16 6 18 1 17 7 9 1 18 7 19 1 19 7 20 1 20 8 11 1 21 8 21 1 22 9 10 1 23 9 22 1 24 9 23 1 25 10 12 1 26 10 24 1 27 10 25 1 28 11 26 1 29 11 27 1 30 12 13 1 31 12 28 1 32 12 29 1 33 13 33 1 34 13 34 1 35 13 35 1