@MOLECULE oxodipine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6647 -1.4912 1.3064 O.3 1 UNL1111111111 -0.3191 2 O 3.1288 -2.5908 -0.1787 O.3 1 UNL1111111111 -0.3528 3 O 1.6263 2.6221 -0.1234 O.3 1 UNL1111111111 -0.4402 4 O -1.6057 -2.2307 0.9587 O.3 1 UNL1111111111 -0.3756 5 O 1.3768 1.9309 2.0032 O.2 1 UNL1111111111 -0.4865 6 O -3.6697 -1.9341 0.1298 O.2 1 UNL1111111111 -0.5629 7 N -2.5850 2.1580 -0.4726 N.pl3 1 UNL1111111111 -0.4868 8 C -0.7003 0.2120 0.5182 C.3 1 UNL1111111111 -0.0144 9 C -0.4193 1.6876 0.4239 C.2 1 UNL1111111111 -0.2684 10 C 0.2181 -0.5081 -0.4354 C.ar 1 UNL1111111111 -0.0389 11 C -2.1335 -0.0992 0.1936 C.2 1 UNL1111111111 -0.3311 12 C -1.3042 2.5762 -0.0757 C.2 1 UNL1111111111 0.2794 13 C -2.9917 0.8395 -0.2954 C.2 1 UNL1111111111 0.3344 14 C 1.2797 -1.2635 0.0079 C.ar 1 UNL1111111111 0.1103 15 C 0.0596 -0.4329 -1.8343 C.ar 1 UNL1111111111 -0.1512 16 C 2.1575 -1.9209 -0.8838 C.ar 1 UNL1111111111 0.1330 17 C 0.9183 2.0654 0.8992 C.2 1 UNL1111111111 0.6293 18 C -2.5826 -1.4693 0.3978 C.2 1 UNL1111111111 0.6323 19 C -1.0612 4.0398 -0.2310 C.3 1 UNL1111111111 -0.4821 20 C -4.4034 0.5538 -0.6739 C.3 1 UNL1111111111 -0.4852 21 C 0.9223 -1.0817 -2.7075 C.ar 1 UNL1111111111 -0.1471 22 C 2.0081 -1.8512 -2.2468 C.ar 1 UNL1111111111 -0.1999 23 C 2.8297 -2.3377 1.2125 C.3 1 UNL1111111111 0.1537 24 C 3.0213 2.8350 0.0909 C.3 1 UNL1111111111 0.0077 25 C -1.9378 -3.5987 1.1693 C.3 1 UNL1111111111 -0.1746 26 C 3.7595 1.5163 -0.0757 C.3 1 UNL1111111111 -0.4837 27 H -0.4827 -0.1317 1.5755 H 1 UNL1111111111 0.1919 28 H -3.2398 2.8425 -0.8176 H 1 UNL1111111111 0.3154 29 H -0.7668 0.1586 -2.2271 H 1 UNL1111111111 0.1606 30 H 0.0050 4.2972 -0.0985 H 1 UNL1111111111 0.1932 31 H -1.6226 4.6268 0.5117 H 1 UNL1111111111 0.1702 32 H -1.3324 4.4049 -1.2324 H 1 UNL1111111111 0.1671 33 H -4.9652 0.1333 0.1836 H 1 UNL1111111111 0.1998 34 H -4.4506 -0.2423 -1.4436 H 1 UNL1111111111 0.2008 35 H -4.9645 1.4148 -1.0496 H 1 UNL1111111111 0.1508 36 H 0.7626 -0.9970 -3.7811 H 1 UNL1111111111 0.1539 37 H 2.6794 -2.3551 -2.9315 H 1 UNL1111111111 0.1687 38 H 2.5856 -3.2998 1.6829 H 1 UNL1111111111 0.1389 39 H 3.6782 -1.7892 1.6435 H 1 UNL1111111111 0.1380 40 H 3.2621 3.5627 -0.7055 H 1 UNL1111111111 0.1322 41 H 3.1861 3.2881 1.0847 H 1 UNL1111111111 0.1365 42 H -1.0306 -3.9976 1.6372 H 1 UNL1111111111 0.1449 43 H -2.1422 -4.0882 0.2116 H 1 UNL1111111111 0.1376 44 H -2.8040 -3.6844 1.8331 H 1 UNL1111111111 0.1385 45 H 4.8445 1.6525 -0.0435 H 1 UNL1111111111 0.1501 46 H 3.4842 0.8084 0.7200 H 1 UNL1111111111 0.1689 47 H 3.5054 1.0368 -1.0307 H 1 UNL1111111111 0.1627 @BOND 1 1 14 1 2 1 23 1 3 2 16 1 4 2 23 1 5 3 17 1 6 3 24 1 7 4 18 1 8 4 25 1 9 5 17 2 10 6 18 2 11 7 12 1 12 7 13 1 13 7 28 1 14 8 9 1 15 8 10 1 16 8 11 1 17 8 27 1 18 9 12 2 19 9 17 1 20 10 14 ar 21 10 15 ar 22 11 13 2 23 11 18 1 24 12 19 1 25 13 20 1 26 14 16 ar 27 15 21 ar 28 15 29 1 29 16 22 ar 30 19 30 1 31 19 31 1 32 19 32 1 33 20 33 1 34 20 34 1 35 20 35 1 36 21 22 ar 37 21 36 1 38 22 37 1 39 23 38 1 40 23 39 1 41 24 26 1 42 24 40 1 43 24 41 1 44 25 42 1 45 25 43 1 46 25 44 1 47 26 45 1 48 26 46 1 49 26 47 1