@MOLECULE 5-methyl-4-oxoproline 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.0173 -0.6554 -1.2324 N.3 1 UNL1111111111 -0.5404 2 CA 0.6529 0.5838 -0.7222 C.3 1 UNL1111111111 -0.0066 3 C 1.7047 0.1084 0.2752 C.2 1 UNL1111111111 0.6386 4 O 1.5730 -0.1937 1.4290 O.2 1 UNL1111111111 -0.4993 5 OXT 2.9190 0.0969 -0.3270 O.3 1 UNL1111111111 -0.5590 6 C -0.4142 1.4278 -0.0052 C.3 1 UNL1111111111 -0.4247 7 C -1.6449 0.5501 0.0347 C.2 1 UNL1111111111 0.4538 8 C -1.3125 -0.8071 -0.5953 C.3 1 UNL1111111111 -0.0309 9 O -2.7108 0.8653 0.4761 O.2 1 UNL1111111111 -0.4202 10 C -1.2380 -1.8563 0.5143 C.3 1 UNL1111111111 -0.4438 11 H -0.0274 -0.6735 -2.2458 H 1 UNL1111111111 0.2731 12 HA 1.1522 1.1525 -1.5464 H 1 UNL1111111111 0.1679 13 HXT 3.6468 -0.2510 0.2449 H 1 UNL1111111111 0.3564 14 H -0.1195 1.7107 1.0276 H 1 UNL1111111111 0.2023 15 H -0.6194 2.3817 -0.5217 H 1 UNL1111111111 0.1823 16 H -2.0855 -1.0977 -1.3465 H 1 UNL1111111111 0.1541 17 H -2.1967 -1.9534 1.0367 H 1 UNL1111111111 0.1573 18 H -0.9634 -2.8378 0.1076 H 1 UNL1111111111 0.1619 19 H -0.4673 -1.6030 1.2596 H 1 UNL1111111111 0.1772 @BOND 1 1 2 1 2 1 8 1 3 1 11 1 4 2 3 1 5 2 6 1 6 2 12 1 7 3 4 2 8 3 5 1 9 5 13 1 10 6 7 1 11 6 14 1 12 6 15 1 13 7 8 1 14 7 9 2 15 8 10 1 16 8 16 1 17 10 17 1 18 10 18 1 19 10 19 1