@MOLECULE ravenic acid 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2723 2.3053 -0.0019 O.2 1 UNL1111111111 -0.4658 2 O -2.0028 -1.9065 -0.0013 O.2 1 UNL1111111111 -0.4727 3 O -4.6674 -2.1760 0.0019 O.2 1 UNL1111111111 -0.5953 4 N -5.7967 -0.1670 0.0007 N.am 1 UNL1111111111 -0.5841 5 C -5.4676 1.2673 0.0002 C.3 1 UNL1111111111 -0.1814 6 C -3.4756 -0.0866 -0.0004 C.2 1 UNL1111111111 -0.5728 7 C -3.9197 1.2937 -0.0007 C.2 1 UNL1111111111 0.5240 8 C -4.6610 -0.9525 0.0008 C.2 1 UNL1111111111 0.6473 9 C -2.2025 -0.5894 -0.0007 C.2 1 UNL1111111111 0.5137 10 C -0.9833 0.1941 0.0000 C.2 1 UNL1111111111 -0.2929 11 C 0.2405 -0.3666 -0.0006 C.2 1 UNL1111111111 -0.0168 12 C 1.4914 0.3872 0.0004 C.2 1 UNL1111111111 -0.0194 13 C 1.3950 1.8735 0.0027 C.3 1 UNL1111111111 -0.4457 14 C 2.6574 -0.2967 -0.0011 C.2 1 UNL1111111111 -0.1384 15 C 3.9779 0.2990 -0.0004 C.2 1 UNL1111111111 -0.1803 16 C 5.0984 -0.4484 -0.0009 C.2 1 UNL1111111111 -0.1178 17 C 6.4262 0.1407 -0.0001 C.2 1 UNL1111111111 -0.2115 18 C 7.5408 -0.6063 -0.0000 C.2 1 UNL1111111111 -0.0854 19 C 8.9080 -0.0230 0.0009 C.3 1 UNL1111111111 -0.4542 20 H -5.8701 1.7786 -0.8979 H 1 UNL1111111111 0.1672 21 H -5.8694 1.7798 0.8978 H 1 UNL1111111111 0.1672 22 H -6.7349 -0.4996 0.0020 H 1 UNL1111111111 0.3304 23 H -1.1381 1.2813 0.0010 H 1 UNL1111111111 0.2063 24 H 0.3442 -1.4619 -0.0018 H 1 UNL1111111111 0.1657 25 H 0.8525 2.2381 0.8897 H 1 UNL1111111111 0.1654 26 H 0.8535 2.2409 -0.8838 H 1 UNL1111111111 0.1654 27 H 2.3721 2.3742 0.0040 H 1 UNL1111111111 0.1554 28 H 2.6438 -1.3930 -0.0027 H 1 UNL1111111111 0.1515 29 H -2.8933 -2.4301 -0.0011 H 1 UNL1111111111 0.4011 30 H 4.0328 1.3889 0.0006 H 1 UNL1111111111 0.1551 31 H 5.0520 -1.5396 -0.0020 H 1 UNL1111111111 0.1481 32 H 6.4739 1.2303 0.0006 H 1 UNL1111111111 0.1544 33 H 7.5051 -1.6959 -0.0007 H 1 UNL1111111111 0.1420 34 H 9.4782 -0.3459 -0.8838 H 1 UNL1111111111 0.1598 35 H 8.9088 1.0756 0.0014 H 1 UNL1111111111 0.1549 36 H 9.4773 -0.3463 0.8859 H 1 UNL1111111111 0.1598 @BOND 1 1 7 2 2 2 9 1 3 2 29 1 4 3 8 2 5 4 5 1 6 4 8 am 7 4 22 1 8 5 7 1 9 5 20 1 10 5 21 1 11 6 7 1 12 6 8 1 13 6 9 2 14 9 10 1 15 10 11 2 16 10 23 1 17 11 12 1 18 11 24 1 19 12 13 1 20 12 14 2 21 13 25 1 22 13 26 1 23 13 27 1 24 14 15 1 25 14 28 1 26 15 16 2 27 15 30 1 28 16 17 1 29 16 31 1 30 17 18 2 31 17 32 1 32 18 19 1 33 18 33 1 34 19 34 1 35 19 35 1 36 19 36 1