@MOLECULE epsilon-caprolactone 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.7341 -1.2028 0.0055 O.3 1 UNL1 -0.4126 2 O 2.3402 0.1912 -0.4237 O.2 1 UNL1 -0.4601 3 C -1.9433 0.6163 -0.0428 C.3 1 UNL1 -0.2693 4 C -0.7453 1.5532 -0.2327 C.3 1 UNL1 -0.2492 5 C -1.6231 -0.8226 -0.4551 C.3 1 UNL1 -0.3166 6 C 0.4400 1.1762 0.6608 C.3 1 UNL1 -0.3805 7 C -0.5838 -1.4675 0.4580 C.3 1 UNL1 -0.0154 8 C 1.2383 0.0621 0.0446 C.2 1 UNL1 0.6025 9 H -2.2886 0.6462 1.0082 H 1 UNL1 0.1382 10 H -2.7977 0.9901 -0.6424 H 1 UNL1 0.1398 11 H -1.0548 2.5946 -0.0112 H 1 UNL1 0.1428 12 H -0.4326 1.5620 -1.2968 H 1 UNL1 0.1524 13 H -2.5498 -1.4285 -0.4537 H 1 UNL1 0.1467 14 H -1.2555 -0.8483 -1.5025 H 1 UNL1 0.1650 15 H 0.1025 0.9076 1.6803 H 1 UNL1 0.1677 16 H 1.1080 2.0571 0.7940 H 1 UNL1 0.1778 17 H -0.6881 -1.1670 1.5133 H 1 UNL1 0.1236 18 H -0.6042 -2.5753 0.3916 H 1 UNL1 0.1472 @BOND 1 14 5 1 2 12 4 1 3 10 3 1 4 5 13 1 5 5 3 1 6 5 7 1 7 2 8 2 8 4 3 1 9 4 11 1 10 4 6 1 11 3 9 1 12 1 8 1 13 1 7 1 14 8 6 1 15 18 7 1 16 7 17 1 17 6 16 1 18 6 15 1