@MOLECULE histidinol 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5352 1.6806 0.3376 O.3 1 HIS1111111111 -0.5748 2 N 2.9082 -1.1380 0.0329 N.3 1 HIS1111111111 -0.6550 3 ND1 -1.2325 0.8488 0.3563 N.ar 1 HIS1111111111 -0.3593 4 NE2 -2.9497 -0.4017 -0.3704 N.ar 1 HIS1111111111 -0.3712 5 CA 1.6065 -0.6169 -0.4180 C.3 1 HIS1111111111 0.0396 6 CB 0.5824 -0.8536 0.7169 C.3 1 HIS1111111111 -0.2766 7 CG -0.7840 -0.4750 0.3132 C.ar 1 HIS1111111111 0.0033 8 C 1.6537 0.8788 -0.8235 C.3 1 HIS1111111111 -0.0626 9 CD2 -1.8681 -1.2353 -0.1347 C.ar 1 HIS1111111111 -0.0972 10 CE1 -2.5577 0.8497 -0.0781 C.ar 1 HIS1111111111 0.0625 11 HA 1.2992 -1.2164 -1.3176 H 1 HIS1111111111 0.1539 12 HB1 0.6188 -1.9288 1.0094 H 1 HIS1111111111 0.1792 13 HB2 0.8950 -0.2941 1.6270 H 1 HIS1111111111 0.1681 14 H1 2.5651 1.1300 -1.3855 H 1 HIS1111111111 0.1171 15 H2 0.7702 1.1527 -1.4322 H 1 HIS1111111111 0.1476 16 H1 3.2297 -0.6987 0.8782 H 1 HIS1111111111 0.2537 17 H2 3.6196 -1.0714 -0.6739 H 1 HIS1111111111 0.2520 18 HD1 -0.6536 1.6299 0.5911 H 1 HIS1111111111 0.3314 19 HD2 -1.9390 -2.2919 -0.2953 H 1 HIS1111111111 0.1786 20 HE1 -3.1624 1.7349 -0.1508 H 1 HIS1111111111 0.1850 21 H 2.3853 2.0844 0.5847 H 1 HIS1111111111 0.3248 @BOND 1 1 8 1 2 1 21 1 3 2 5 1 4 2 16 1 5 2 17 1 6 3 7 ar 7 3 10 ar 8 3 18 1 9 4 9 ar 10 4 10 ar 11 5 6 1 12 5 8 1 13 5 11 1 14 6 7 1 15 6 12 1 16 6 13 1 17 7 9 ar 18 8 14 1 19 8 15 1 20 9 19 1 21 10 20 1