@MOLECULE chlorohydroaspyrone b 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.8127 0.3652 -0.2559 Cl 1 UNL1111111111 -0.1643 2 O 1.8873 -1.2676 -0.5346 O.3 1 UNL1111111111 -0.4023 3 O 3.0992 2.0101 0.3491 O.3 1 UNL1111111111 -0.5319 4 O -1.7935 -0.9638 1.5131 O.3 1 UNL1111111111 -0.5226 5 O -0.0295 -2.2320 -0.1343 O.2 1 UNL1111111111 -0.4572 6 C 2.6711 -0.0721 -0.6094 C.3 1 UNL1111111111 0.1365 7 C 2.4770 0.7825 0.6669 C.3 1 UNL1111111111 0.0644 8 C 0.1409 0.0446 0.5562 C.2 1 UNL1111111111 -0.2192 9 C -1.3488 0.1358 0.7673 C.3 1 UNL1111111111 0.1439 10 C 1.0125 0.9883 0.9183 C.2 1 UNL1111111111 -0.1183 11 C -2.0677 0.1870 -0.5950 C.3 1 UNL1111111111 -0.0558 12 C 0.6195 -1.2166 -0.0509 C.2 1 UNL1111111111 0.5963 13 C 4.0955 -0.5767 -0.7486 C.3 1 UNL1111111111 -0.4667 14 C -1.6417 1.3612 -1.4462 C.3 1 UNL1111111111 -0.4709 15 H 2.3302 0.4876 -1.5103 H 1 UNL1111111111 0.1487 16 H 2.9793 0.3239 1.5512 H 1 UNL1111111111 0.1508 17 H -1.6303 1.0007 1.4184 H 1 UNL1111111111 0.1665 18 H 0.7263 1.9303 1.3828 H 1 UNL1111111111 0.1706 19 H -1.9746 -0.7835 -1.1325 H 1 UNL1111111111 0.1701 20 H 4.3636 -1.2763 0.0546 H 1 UNL1111111111 0.1658 21 H 4.8070 0.2610 -0.7259 H 1 UNL1111111111 0.1714 22 H 4.2374 -1.1161 -1.6958 H 1 UNL1111111111 0.1679 23 H -1.7959 2.3249 -0.9411 H 1 UNL1111111111 0.1630 24 H -0.5787 1.3018 -1.7169 H 1 UNL1111111111 0.1586 25 H -2.2058 1.4057 -2.3907 H 1 UNL1111111111 0.1702 26 H 3.1748 2.5784 1.1433 H 1 UNL1111111111 0.3218 27 H -1.5407 -1.8137 1.0739 H 1 UNL1111111111 0.3428 @BOND 1 1 11 1 2 2 6 1 3 2 12 1 4 3 7 1 5 3 26 1 6 4 9 1 7 4 27 1 8 5 12 2 9 6 7 1 10 6 13 1 11 6 15 1 12 7 10 1 13 7 16 1 14 8 9 1 15 8 10 2 16 8 12 1 17 9 11 1 18 9 17 1 19 10 18 1 20 11 14 1 21 11 19 1 22 13 20 1 23 13 21 1 24 13 22 1 25 14 23 1 26 14 24 1 27 14 25 1