@MOLECULE d-pro 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 HA -0.3607 -0.7249 -1.7806 H 1 PRO1111 0.1608 2 CA -0.0618 -0.3062 -0.7871 C.3 1 PRO1111 -0.0205 3 C -1.3374 0.0204 -0.0236 C.2 1 PRO1111 0.6347 4 O -2.4608 -0.2581 -0.3489 O.2 1 PRO1111 -0.5137 5 OXT -1.0936 0.7246 1.1080 O.3 1 PRO1111 -0.5416 6 HXT -1.9098 0.8943 1.6419 H 1 PRO1111 0.3480 7 N 0.6608 -1.3154 0.0191 N.3 1 PRO1111 -0.5136 8 CD 1.6831 -0.5684 0.7940 C.3 1 PRO1111 -0.1049 9 HD1 1.2134 -0.2728 1.7603 H 1 PRO1111 0.1611 10 HD2 2.5518 -1.2065 1.0271 H 1 PRO1111 0.1296 11 CG 2.0588 0.6845 -0.0300 C.3 1 PRO1111 -0.2946 12 HG1 2.9723 0.5153 -0.6211 H 1 PRO1111 0.1359 13 HG2 2.2654 1.5457 0.6246 H 1 PRO1111 0.1478 14 CB 0.8432 0.9419 -0.9404 C.3 1 PRO1111 -0.2890 15 HB1 1.1470 1.0850 -1.9888 H 1 PRO1111 0.1422 16 HB2 0.3149 1.8643 -0.6434 H 1 PRO1111 0.1588 17 H 1.0810 -2.0281 -0.5721 H 1 PRO1111 0.2590 @BOND 1 1 2 1 2 2 3 1 3 2 7 1 4 2 14 1 5 3 4 2 6 3 5 1 7 5 6 1 8 7 8 1 9 7 17 1 10 8 9 1 11 8 10 1 12 8 11 1 13 11 12 1 14 11 13 1 15 11 14 1 16 14 15 1 17 14 16 1