@MOLECULE ***** 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.7960 0.0120 0.1320 N.am 1 HIS1 -0.3021 2 CA 0.6140 0.3580 0.3050 C.3 1 HIS1 0.1050 3 C 1.3680 0.0910 -0.9780 C.2 1 HIS1 0.2369 4 O 2.5290 -0.2560 -0.9630 O.2 1 HIS1 -0.2735 5 CB 1.2110 -0.4900 1.4300 C.3 1 HIS1 0.0160 6 ND1 -0.6390 -0.8860 3.1670 N.ar 1 HIS1 -0.3481 7 CE1 -0.9820 -0.3280 4.3490 C.ar 1 HIS1 0.0935 8 NE2 -0.1400 0.6300 4.6190 N.ar 1 HIS1 -0.2440 9 CD2 0.7640 0.7150 3.6320 C.ar 1 HIS1 0.0485 10 CG 0.4660 -0.2210 2.7120 C.ar 1 HIS1 0.0375 11 N 0.7050 0.2540 -2.1350 N.am 2 PRO2 -0.2884 12 CA -0.6870 0.7280 -2.2320 C.3 2 PRO2 0.1023 13 C -1.4370 0.1940 -1.0370 C.2 2 PRO2 0.2342 14 O -2.6150 -0.0740 -1.1320 O.2 2 PRO2 -0.2738 15 CB -1.2650 0.1420 -3.5280 C.3 2 PRO2 -0.0243 16 CG -0.0970 -0.6410 -4.1720 C.3 2 PRO2 -0.0350 17 CD 1.1550 -0.0090 -3.5090 C.3 2 PRO2 0.0156 18 H -1.2840 -0.3590 0.8830 H 1 HIS1 0.1495 19 HA 0.6990 1.4130 0.5630 H 1 HIS1 0.0598 20 HB1 1.1240 -1.5460 1.1740 H 1 HIS1 0.0351 21 HB2 2.2620 -0.2330 1.5600 H 1 HIS1 0.0351 22 HD1 -1.0920 -1.6210 2.7250 H 1 HIS1 0.1665 23 HE1 -1.8160 -0.6270 4.9670 H 1 HIS1 0.1027 24 HD2 1.5830 1.4170 3.5810 H 1 HIS1 0.0848 25 HA -0.7140 1.8170 -2.2590 H 2 PRO2 0.0597 26 HB1 -1.5970 0.9400 -4.1930 H 2 PRO2 0.0288 27 HB2 -2.0930 -0.5290 -3.3020 H 2 PRO2 0.0288 28 HG1 -0.0800 -0.4900 -5.2510 H 2 PRO2 0.0281 29 HG2 -0.1660 -1.7020 -3.9310 H 2 PRO2 0.0281 30 HD1 1.4290 0.9190 -4.0100 H 2 PRO2 0.0465 31 HD2 1.9890 -0.7110 -3.5140 H 2 PRO2 0.0465 @BOND 1 1 2 1 2 1 13 am 3 1 18 1 4 2 3 1 5 2 5 1 6 2 19 1 7 3 4 2 8 3 11 am 9 5 10 1 10 5 20 1 11 5 21 1 12 6 7 ar 13 6 10 ar 14 6 22 1 15 7 8 ar 16 7 23 1 17 8 9 ar 18 9 10 ar 19 9 24 1 20 11 12 1 21 11 17 1 22 12 13 1 23 12 15 1 24 12 25 1 25 13 14 2 26 15 16 1 27 15 26 1 28 15 27 1 29 16 17 1 30 16 28 1 31 16 29 1 32 17 30 1 33 17 31 1