@MOLECULE n-acetyl-s-(2-hydroxycyclohexyl)-l-cysteine 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3246 -0.0338 -0.5203 S.3 1 UNK1111111111 -0.0888 2 O 2.3795 -2.4373 -0.3298 O.3 1 UNK1111111111 -0.5723 3 O -2.4202 1.9474 -1.4341 O.3 1 UNK1111111111 -0.5548 4 O -1.6443 2.9935 0.3762 O.2 1 UNK1111111111 -0.4902 5 O -3.7096 -1.3851 1.4961 O.2 0 UNK0 -0.5371 6 N -2.8257 -0.3550 -0.3039 N.am 1 UNK1 -0.6111 7 C 2.0144 -0.1008 0.2335 C.3 1 UNK1 -0.1937 8 C 2.8599 -1.1230 -0.5516 C.3 1 UNK1 0.1630 9 C 2.6650 1.2799 0.1842 C.3 1 UNK1 -0.2765 10 C 4.2969 -1.1792 -0.0060 C.3 1 UNK1 -0.2983 11 C 4.0858 1.2099 0.7635 C.3 1 UNK1 -0.2662 12 C 4.9393 0.2080 -0.0227 C.3 1 UNK1 -0.2662 13 C -0.7441 0.1539 0.9605 C.3 1 UNK1 -0.3483 14 C -2.1459 0.6193 0.5396 C.3 1 UNK1 0.0444 15 C -2.0251 1.9777 -0.1392 C.2 1 UNK1 0.6124 16 C -3.5890 -1.3490 0.2892 C.2 0 UNK0 0.6193 17 C -4.2280 -2.3235 -0.6552 C.3 0 UNK0 -0.5264 18 H 1.9255 -0.4498 1.2881 H 1 UNK1 0.1671 19 H 2.8537 -0.9250 -1.6459 H 1 UNK1 0.1227 20 H 2.0684 2.0223 0.7507 H 1 UNK1 0.1493 21 H 2.7078 1.6655 -0.8543 H 1 UNK1 0.1517 22 H 4.8878 -1.8983 -0.6047 H 1 UNK1 0.1525 23 H 4.2839 -1.5965 1.0201 H 1 UNK1 0.1583 24 H 4.0494 0.9209 1.8312 H 1 UNK1 0.1406 25 H 4.5531 2.2128 0.7362 H 1 UNK1 0.1384 26 H 5.0706 0.5561 -1.0648 H 1 UNK1 0.1391 27 H 5.9573 0.1569 0.4083 H 1 UNK1 0.1390 28 H -0.8204 -0.8136 1.4981 H 1 UNK1 0.1857 29 H -0.2979 0.8799 1.6679 H 1 UNK1 0.1769 30 H 1.4453 -2.5288 -0.6006 H 1 UNK1 0.3256 31 H -2.7635 0.7693 1.4872 H 1 UNK1 0.2066 32 H -2.6810 -0.2969 -1.3006 H 1 UNK1 0.3337 33 H -4.7677 -3.1001 -0.0873 H 0 UNK0 0.1885 34 H -4.9606 -1.8353 -1.3125 H 0 UNK0 0.1767 35 H -3.4900 -2.8354 -1.2873 H 0 UNK0 0.1763 36 H -2.3192 2.8179 -1.8966 H 1 UNK1 0.3618 @BOND 1 1 7 1 2 1 13 1 3 2 8 1 4 2 30 1 5 3 15 1 6 3 36 1 7 4 15 2 8 5 16 2 9 6 14 1 10 6 16 am 11 6 32 1 12 7 8 1 13 7 9 1 14 7 18 1 15 8 10 1 16 8 19 1 17 9 11 1 18 9 20 1 19 9 21 1 20 10 12 1 21 10 22 1 22 10 23 1 23 11 12 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 14 1 29 13 28 1 30 13 29 1 31 14 15 1 32 14 31 1 33 16 17 1 34 17 33 1 35 17 34 1 36 17 35 1