@MOLECULE 5-oxo-l-prolyl-3-(4h-imidazol-4-yl)-d-alanine 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2455 -0.1770 -1.6343 O.2 1 UNL1111111111 -0.3794 2 O 5.3232 -0.7047 -0.7386 O.2 1 UNL1111111111 -0.3749 3 O -1.1974 2.4850 1.2164 O.3 1 UNL1111111111 -0.3497 4 OXT -2.4706 3.0500 -0.5273 O.2 1 UNL1111111111 -0.3440 5 N 3.2127 -1.3332 -0.1202 N.am 1 UNL1111111111 -0.6430 6 N -0.0315 0.4679 0.1281 N.am 1 UNL1111111111 -0.4378 7 ND1 -2.1739 -1.3029 0.9136 N.2 1 UNL1111111111 -0.5615 8 NE2 -3.9418 -2.5151 0.0705 N.2 1 UNL1111111111 -0.4254 9 CA 2.0660 -0.7435 0.5727 C.3 1 UNL1111111111 0.0478 10 C 2.6739 0.4124 1.4218 C.3 1 UNL1111111111 -0.1661 11 C 4.0057 0.7432 0.7323 C.3 1 UNL1111111111 -0.4937 12 CA -1.0161 1.1092 -0.7322 C.3 1 UNL1111111111 0.1432 13 CB -2.1422 0.1378 -1.1465 C.3 1 UNL1111111111 -0.7327 14 C 1.0618 -0.1664 -0.4372 C.2 1 ACE1111111111 0.3148 15 C 4.3100 -0.4643 -0.1341 C.2 1 UNL1111111111 0.4385 16 CG -2.9541 -0.3975 0.0323 C.3 1 UNL1111111111 0.2700 17 C -1.6444 2.3187 -0.0474 C.2 1 UNL1111111111 0.1684 18 CD2 -4.0888 -1.3351 -0.4520 C.2 1 UNL1111111111 -0.0562 19 CE1 -2.7617 -2.4661 0.9118 C.2 1 UNL1111111111 0.3153 20 HA 1.5727 -1.5181 1.2085 H 1 UNL1111111111 0.1653 21 H 2.8361 0.0860 2.4624 H 1 UNL1111111111 0.1671 22 H 2.0086 1.2910 1.4779 H 1 UNL1111111111 0.1000 23 H 4.8247 0.9477 1.4414 H 1 UNL1111111111 0.2173 24 H 3.9099 1.6427 0.0934 H 1 UNL1111111111 0.2045 25 HA -0.4950 1.4900 -1.6699 H 1 UNL1111111111 0.2026 26 HB1 -1.6732 -0.7036 -1.7061 H 1 UNL1111111111 0.3016 27 HB2 -2.8167 0.6493 -1.8658 H 1 UNL1111111111 0.2288 28 H 3.0755 -2.0360 -0.8258 H 1 UNL1111111111 0.3963 29 H -0.3635 0.2091 1.0557 H 1 UNL1111111111 0.3505 30 HG -3.3632 0.4354 0.6593 H 1 UNL1111111111 0.1501 31 HD2 -4.8741 -1.0275 -1.1270 H 1 UNL1111111111 0.2230 32 HE1 -2.4640 -3.3574 1.4545 H 1 UNL1111111111 0.2197 33 H -1.6056 3.2575 1.6850 H 1 UNL1111111111 0.3396 @BOND 1 1 14 2 2 2 15 2 3 3 17 1 4 3 33 1 5 4 17 2 6 5 9 1 7 5 15 am 8 5 28 1 9 6 12 1 10 6 14 am 11 6 29 1 12 7 16 1 13 7 19 2 14 8 18 2 15 8 19 1 16 9 10 1 17 9 14 1 18 9 20 1 19 10 11 1 20 10 21 1 21 10 22 1 22 11 15 1 23 11 23 1 24 11 24 1 25 12 13 1 26 12 17 1 27 12 25 1 28 13 16 1 29 13 26 1 30 13 27 1 31 16 18 1 32 16 30 1 33 18 31 1 34 19 32 1