@MOLECULE (1r,2s,3s,4s)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4400 -1.6651 1.0568 O.3 1 UNL1111111111 -0.3695 2 O 2.5944 1.3122 0.6946 O.3 1 UNL1111111111 -0.5595 3 O -1.8282 1.8557 0.5615 O.3 1 UNL1111111111 -0.5599 4 O 1.6561 1.4880 -1.3204 O.2 1 UNL1111111111 -0.4956 5 O -3.1179 0.2883 -0.3585 O.2 1 UNL1111111111 -0.4944 6 C 0.4597 0.3853 0.4945 C.3 1 UNL1111111111 -0.2237 7 C -0.7090 0.0595 -0.4780 C.3 1 UNL1111111111 -0.2327 8 C 0.8702 -1.0550 0.9878 C.3 1 UNL1111111111 0.1148 9 C -0.8076 -1.5063 -0.3335 C.3 1 UNL1111111111 0.1080 10 C 1.4654 -1.7915 -0.2119 C.2 1 UNL1111111111 -0.1903 11 C 0.4320 -2.0691 -1.0267 C.2 1 UNL1111111111 -0.1756 12 C 1.5787 1.1066 -0.1832 C.2 1 UNL1111111111 0.6353 13 C -2.0128 0.6877 -0.1051 C.2 1 UNL1111111111 0.6390 14 H 0.1114 0.9843 1.3743 H 1 UNL1111111111 0.2097 15 H -0.4618 0.3533 -1.5297 H 1 UNL1111111111 0.2076 16 H 1.3591 -1.1232 1.9579 H 1 UNL1111111111 0.1626 17 H -1.7825 -1.9651 -0.5056 H 1 UNL1111111111 0.1730 18 H 2.5074 -2.0038 -0.3036 H 1 UNL1111111111 0.1650 19 H 0.3961 -2.5651 -1.9713 H 1 UNL1111111111 0.1660 20 H 3.3591 1.8072 0.3073 H 1 UNL1111111111 0.3593 21 H -2.6747 2.3073 0.8084 H 1 UNL1111111111 0.3610 @BOND 1 1 8 1 2 1 9 1 3 2 12 1 4 2 20 1 5 3 13 1 6 3 21 1 7 4 12 2 8 5 13 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 14 1 13 7 9 1 14 7 13 1 15 7 15 1 16 8 10 1 17 8 16 1 18 9 11 1 19 9 17 1 20 10 11 2 21 10 18 1 22 11 19 1