@MOLECULE (2s)-amino(2,3-dihydro-1h-inden-2-yl)acetic acid 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.7164 -1.6420 0.7646 O.3 1 UNL1111111111 -0.5601 2 OXT 3.8343 -0.3212 -0.6431 O.2 1 UNL1111111111 -0.5099 3 N 2.3800 1.8919 0.4834 N.3 1 UNL1111111111 -0.6278 4 C 0.6981 0.4462 -0.6083 C.3 1 UNL1111111111 -0.0962 5 C -0.0100 -0.9372 -0.5601 C.3 1 UNL1111111111 -0.3036 6 C -0.3989 1.5164 -0.3390 C.3 1 UNL1111111111 -0.2801 7 C -1.4417 -0.6372 -0.2523 C.ar 1 UNL1111111111 -0.0072 8 C -1.6600 0.7460 -0.1262 C.ar 1 UNL1111111111 -0.0059 9 CA 1.8180 0.5366 0.4554 C.3 1 UNL1111111111 -0.0176 10 C -2.4802 -1.5373 -0.0923 C.ar 1 UNL1111111111 -0.1691 11 C -2.9210 1.2377 0.1617 C.ar 1 UNL1111111111 -0.1750 12 C 2.9013 -0.4781 0.0980 C.2 1 UNL1111111111 0.5769 13 C -3.7563 -1.0403 0.1979 C.ar 1 UNL1111111111 -0.1557 14 C -3.9734 0.3288 0.3233 C.ar 1 UNL1111111111 -0.1518 15 H 1.1338 0.6117 -1.6180 H 1 UNL1111111111 0.1470 16 H 0.4289 -1.6086 0.2037 H 1 UNL1111111111 0.1716 17 H 0.0927 -1.4695 -1.5233 H 1 UNL1111111111 0.1578 18 H -0.4844 2.2182 -1.1876 H 1 UNL1111111111 0.1553 19 H -0.1465 2.1468 0.5378 H 1 UNL1111111111 0.1794 20 HA 1.3916 0.3050 1.4708 H 1 UNL1111111111 0.1855 21 H -2.3143 -2.6063 -0.1877 H 1 UNL1111111111 0.1529 22 H -3.0953 2.3050 0.2614 H 1 UNL1111111111 0.1524 23 H1 2.7707 2.1666 -0.4065 H 1 UNL1111111111 0.2666 24 H2 3.0770 2.0070 1.2017 H 1 UNL1111111111 0.2604 25 H -4.5847 -1.7338 0.3263 H 1 UNL1111111111 0.1487 26 H -4.9711 0.6997 0.5492 H 1 UNL1111111111 0.1485 27 H 3.3957 -2.3339 0.5670 H 1 UNL1111111111 0.3570 @BOND 1 1 12 1 2 1 27 1 3 2 12 2 4 3 9 1 5 3 23 1 6 3 24 1 7 4 5 1 8 4 6 1 9 4 9 1 10 4 15 1 11 5 7 1 12 5 16 1 13 5 17 1 14 6 8 1 15 6 18 1 16 6 19 1 17 7 8 ar 18 7 10 ar 19 8 11 ar 20 9 12 1 21 9 20 1 22 10 13 ar 23 10 21 1 24 11 14 ar 25 11 22 1 26 13 14 ar 27 13 25 1 28 14 26 1