@MOLECULE surinamine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.6842 1.5220 0.1873 N.3 1 TYR1111111111 -0.5780 2 CA -1.6089 0.0930 -0.1402 C.3 1 TYR1111111111 0.4272 3 C -2.9842 -0.5634 -0.0519 C.2 1 TYR1111111111 0.1352 4 O -3.9530 -0.1667 0.5390 O.2 1 TYR1111111111 -0.3209 5 CB -0.6818 -0.6244 0.8721 C.3 1 TYR1111111111 -0.7852 6 CG 0.7542 -0.4020 0.5094 C.ar 1 TYR1111111111 0.1946 7 CD1 1.3270 0.8602 0.6865 C.ar 1 TYR1111111111 -0.0940 8 CD2 1.5205 -1.4524 -0.0053 C.ar 1 TYR1111111111 -0.2519 9 CE1 2.6630 1.0824 0.3669 C.ar 1 TYR1111111111 -0.4847 10 CE2 2.8566 -1.2562 -0.3330 C.ar 1 TYR1111111111 -0.2568 11 OH 4.7210 0.1336 -0.4665 O.3 1 TYR1111111111 -0.3544 12 CZ 3.4075 0.0135 -0.1345 C.ar 1 TYR1111111111 0.1551 13 C -2.1102 2.3482 -0.9591 C.3 0 UNK0 -0.6569 14 H -2.2858 1.6831 0.9986 H 1 TYR1 0.3674 15 HA -1.1937 -0.0437 -1.1765 H 1 TYR1 0.1507 16 H -1.3738 2.2578 -1.7760 H 0 UNK0 0.2195 17 H -3.1076 2.0989 -1.3522 H 0 UNK0 0.2160 18 H -2.1165 3.4059 -0.6432 H 0 UNK0 0.2453 19 HB1 -0.8780 -0.2545 1.9010 H 1 TYR1 0.2701 20 HB2 -0.9203 -1.7087 0.8935 H 1 TYR1 0.3073 21 HD1 0.7112 1.6815 1.0639 H 1 TYR1 0.1770 22 HD2 1.0710 -2.4342 -0.1540 H 1 TYR1 0.2179 23 HE1 3.1083 2.0604 0.5044 H 1 TYR1 0.2372 24 HE2 3.4712 -2.0576 -0.7329 H 1 TYR1 0.2390 25 HH 5.0662 1.0424 -0.2974 H 1 TYR1 0.3164 26 OXT -3.0085 -1.7223 -0.7513 O.3 1 TYR1 -0.4657 27 HXT -3.8770 -2.1948 -0.7197 H 1 TYR1 0.3727 @BOND 1 1 2 1 2 1 13 1 3 1 14 1 4 2 3 1 5 2 5 1 6 2 15 1 7 3 4 2 8 3 26 1 9 5 6 1 10 5 19 1 11 5 20 1 12 6 7 ar 13 6 8 ar 14 7 9 ar 15 7 21 1 16 8 10 ar 17 8 22 1 18 9 12 ar 19 9 23 1 20 10 12 ar 21 10 24 1 22 11 12 1 23 11 25 1 24 13 16 1 25 13 17 1 26 13 18 1 27 26 27 1