@MOLECULE (3s,4s)-3-(carboxycarbonyl)-4-isopropenyl-l-proline 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9408 0.5291 -1.8221 O.2 1 UNL1111111111 -0.3282 2 O 2.7180 1.6156 0.2444 O.3 1 UNL1111111111 -0.5460 3 OXT 3.4819 -0.3454 0.9979 O.2 1 UNL1111111111 -0.4938 4 O -0.8272 3.0643 -0.3616 O.3 1 UNL1111111111 -0.5167 5 O -2.2521 1.8618 0.8791 O.2 1 UNL1111111111 -0.4710 6 N 1.7515 -1.7341 -0.7737 N.3 1 UNL1111111111 -0.5141 7 C -0.3323 -1.4905 0.4669 C.3 1 UNL1111111111 -0.1450 8 C 0.2155 -0.0583 0.2086 C.3 1 UNL1111111111 -0.2376 9 CA 1.5713 -0.2835 -0.5296 C.3 1 UNL1111111111 -0.0152 10 C 0.4229 -2.3583 -0.5734 C.3 1 UNL1111111111 -0.1162 11 C -1.8291 -1.5809 0.4035 C.2 1 UNL1111111111 0.0293 12 C -0.7129 0.7421 -0.6680 C.2 1 UNL1111111111 0.4030 13 C 2.7010 0.2654 0.3186 C.2 1 UNL1111111111 0.5955 14 C -2.5167 -1.3370 1.7060 C.3 1 UNL1111111111 -0.4658 15 C -2.5141 -1.8405 -0.7118 C.2 1 UNL1111111111 -0.3438 16 C -1.3874 1.9106 0.0494 C.2 1 UNL1111111111 0.5307 17 H 0.0022 -1.8069 1.4887 H 1 UNL1111111111 0.1565 18 H 0.3701 0.4619 1.1824 H 1 UNL1111111111 0.1734 19 HA 1.5739 0.2190 -1.5397 H 1 UNL1111111111 0.2033 20 H 0.5144 -3.4117 -0.2568 H 1 UNL1111111111 0.1410 21 H -0.0969 -2.3544 -1.5588 H 1 UNL1111111111 0.1670 22 H 2.4604 -2.1330 -0.1544 H 1 UNL1111111111 0.2745 23 H -2.1271 -1.9734 2.5105 H 1 UNL1111111111 0.1538 24 H -2.3994 -0.2862 2.0231 H 1 UNL1111111111 0.1764 25 H -3.5993 -1.5192 1.6512 H 1 UNL1111111111 0.1608 26 H -3.5909 -1.9072 -0.7445 H 1 UNL1111111111 0.1540 27 H -2.0687 -1.9911 -1.6833 H 1 UNL1111111111 0.1569 28 H 3.4459 2.0383 0.7682 H 1 UNL1111111111 0.3611 29 H -1.2109 3.8738 0.0664 H 1 UNL1111111111 0.3563 @BOND 1 1 12 2 2 2 13 1 3 2 28 1 4 3 13 2 5 4 16 1 6 4 29 1 7 5 16 2 8 6 9 1 9 6 10 1 10 6 22 1 11 7 8 1 12 7 10 1 13 7 11 1 14 7 17 1 15 8 9 1 16 8 12 1 17 8 18 1 18 9 13 1 19 9 19 1 20 10 20 1 21 10 21 1 22 11 14 1 23 11 15 2 24 12 16 1 25 14 23 1 26 14 24 1 27 14 25 1 28 15 26 1 29 15 27 1