@MOLECULE renierol 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7673 -1.5731 0.0345 O.2 1 UNL1111111111 -0.2568 2 O -1.5817 2.9003 -0.0529 O.2 1 UNL1111111111 -0.3911 3 O 0.0273 -2.1926 -0.0113 O.2 1 UNL1111111111 -0.4220 4 O 3.9946 -1.6628 -0.0779 O.3 1 UNL1111111111 -0.5418 5 N 2.9348 0.8159 0.0455 N.ar 1 UNL1111111111 -0.4098 6 C 0.6456 0.0655 0.0023 C.ar 1 UNL1111111111 -0.2626 7 C 0.2184 1.3996 -0.0006 C.ar 1 UNL1111111111 -0.0186 8 C -2.1938 0.6264 -0.0088 C.2 1 UNL1111111111 -0.1813 9 C -1.2408 1.7414 -0.0241 C.2 1 UNL1111111111 0.4409 10 C -0.3302 -1.0372 -0.0041 C.2 1 UNL1111111111 0.4365 11 C -1.7734 -0.6619 0.0048 C.2 1 UNL1111111111 0.1151 12 CA 2.0300 -0.1902 0.0161 C.ar 1 UNL1111111111 0.2137 13 C 1.1489 2.4274 0.0178 C.ar 1 UNL1111111111 -0.2176 14 C -3.6385 0.9650 -0.0024 C.3 1 UNL1111111111 -0.4087 15 C 2.5933 -1.5865 0.0103 C.3 1 UNL1111111111 -0.0037 16 C 2.5127 2.0870 0.0453 C.ar 1 UNL1111111111 0.1088 17 C -2.4362 -2.9592 0.0127 C.3 1 UNL1111111111 -0.2001 18 H 0.8289 3.4714 0.0123 H 1 UNL1111111111 0.1962 19 H -4.1715 0.4787 -0.8353 H 1 UNL1111111111 0.1624 20 H -3.8181 2.0494 -0.0876 H 1 UNL1111111111 0.1737 21 H -4.1261 0.6259 0.9258 H 1 UNL1111111111 0.1624 22 H1 2.3080 -2.1329 0.9376 H 1 UNL1111111111 0.1623 23 H2 2.2299 -2.1676 -0.8686 H 1 UNL1111111111 0.1728 24 H 3.2990 2.8543 0.0684 H 1 UNL1111111111 0.1789 25 H -3.4331 -3.4197 0.0263 H 1 UNL1111111111 0.1451 26 H -1.8646 -3.2436 0.9024 H 1 UNL1111111111 0.1509 27 H -1.8974 -3.2255 -0.9025 H 1 UNL1111111111 0.1509 28 H 4.4148 -0.7852 0.0705 H 1 UNL1111111111 0.3436 @BOND 1 1 11 1 2 1 17 1 3 2 9 2 4 3 10 2 5 4 15 1 6 4 28 1 7 5 12 ar 8 5 16 ar 9 6 7 ar 10 6 10 1 11 6 12 ar 12 7 9 1 13 7 13 ar 14 8 9 1 15 8 11 2 16 8 14 1 17 10 11 1 18 12 15 1 19 13 16 ar 20 13 18 1 21 14 19 1 22 14 20 1 23 14 21 1 24 15 22 1 25 15 23 1 26 16 24 1 27 17 25 1 28 17 26 1 29 17 27 1