@MOLECULE heptanoyl cyclopentanecarboxylate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5215 -1.3005 0.6942 C.3 1 UNL11111111 -0.2544 2 C -4.9689 -1.7785 0.4997 C.3 1 UNL11111111 -0.2621 3 C -5.7118 -0.6279 -0.2062 C.3 1 UNL11111111 -0.2595 4 C -4.6431 0.3387 -0.7526 C.3 1 UNL11111111 -0.2649 5 C -3.2785 -0.3144 -0.4649 C.3 1 UNL11111111 -0.1773 6 C -2.2519 0.7095 -0.0635 C.2 1 UNL11111111 0.6144 7 O -2.4059 1.8227 0.3351 O.2 1 UNL11111111 -0.4212 8 O -1.0127 0.1270 -0.2181 O.3 1 UNL11111111 -0.5592 9 C 0.1870 0.7495 0.0537 C.2 1 UNL11111111 0.6302 10 O 0.2732 1.8834 0.4117 O.2 1 UNL11111111 -0.4209 11 C 1.2724 -0.2559 -0.1903 C.3 1 UNL11111111 -0.3478 12 C 2.6426 0.3968 0.0087 C.3 1 UNL11111111 -0.2572 13 C 3.7620 -0.6333 -0.1747 C.3 1 UNL11111111 -0.2729 14 C 5.1329 0.0245 0.0278 C.3 1 UNL11111111 -0.2694 15 C 6.2591 -1.0059 -0.1268 C.3 1 UNL11111111 -0.2549 16 C 7.6253 -0.3534 0.0835 C.3 1 UNL11111111 -0.4394 17 H -3.4067 -0.8008 1.6734 H 1 UNL11111111 0.1482 18 H -2.8005 -2.1323 0.6811 H 1 UNL11111111 0.1419 19 H -4.9967 -2.6938 -0.1154 H 1 UNL11111111 0.1342 20 H -5.4409 -2.0381 1.4600 H 1 UNL11111111 0.1366 21 H -6.3542 -1.0109 -1.0148 H 1 UNL11111111 0.1330 22 H -6.3830 -0.1054 0.4962 H 1 UNL11111111 0.1389 23 H -4.7773 0.5265 -1.8293 H 1 UNL11111111 0.1394 24 H -4.7252 1.3260 -0.2577 H 1 UNL11111111 0.1628 25 H -2.9232 -0.8728 -1.3645 H 1 UNL11111111 0.1697 26 H 1.1415 -1.1218 0.4939 H 1 UNL11111111 0.1783 27 H 1.1784 -0.6780 -1.2138 H 1 UNL11111111 0.1786 28 H 2.7727 1.2371 -0.7022 H 1 UNL11111111 0.1528 29 H 2.7047 0.8565 1.0160 H 1 UNL11111111 0.1557 30 H 3.6352 -1.4675 0.5406 H 1 UNL11111111 0.1365 31 H 3.7058 -1.0851 -1.1826 H 1 UNL11111111 0.1363 32 H 5.2719 0.8471 -0.6985 H 1 UNL11111111 0.1395 33 H 5.1865 0.4934 1.0285 H 1 UNL11111111 0.1402 34 H 6.1200 -1.8313 0.5967 H 1 UNL11111111 0.1331 35 H 6.2130 -1.4712 -1.1293 H 1 UNL11111111 0.1329 36 H 7.8021 0.4492 -0.6414 H 1 UNL11111111 0.1437 37 H 7.7114 0.0824 1.0853 H 1 UNL11111111 0.1438 38 H 8.4356 -1.0822 -0.0287 H 1 UNL11111111 0.1407 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1