@MOLECULE benzcyclan 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7692 -0.3375 0.0266 O.3 1 UNL1111111111 -0.4107 2 N 5.0341 -0.9467 -0.1357 N.3 1 UNL1111111111 -0.3895 3 C -0.5845 0.0514 -0.0955 C.3 1 UNL1111111111 0.3039 4 C -0.8431 0.9861 -1.2920 C.3 1 UNL1111111111 -0.3356 5 C -0.8892 0.7325 1.2559 C.3 1 UNL1111111111 -0.2960 6 C 0.1389 2.1550 -1.4113 C.3 1 UNL1111111111 -0.2477 7 C 0.2960 1.4756 1.8812 C.3 1 UNL1111111111 -0.2415 8 C -1.4535 -1.2404 -0.2418 C.3 1 UNL1111111111 -0.3788 9 C 0.1921 3.0437 -0.1609 C.3 1 UNL1111111111 -0.2565 10 C 1.0600 2.4124 0.9348 C.3 1 UNL1111111111 -0.2601 11 C -2.9143 -0.9679 -0.0906 C.ar 1 UNL1111111111 0.0324 12 C 1.3515 -0.9976 -1.0878 C.3 1 UNL1111111111 -0.0473 13 C 2.6834 -1.5325 -0.5589 C.3 1 UNL1111111111 -0.2979 14 C -3.5377 -1.1248 1.1505 C.ar 1 UNL1111111111 -0.1808 15 C -3.6713 -0.5632 -1.1935 C.ar 1 UNL1111111111 -0.1858 16 C 3.6734 -0.3796 -0.3184 C.3 1 UNL1111111111 -0.1132 17 C -4.8960 -0.8513 1.2915 C.ar 1 UNL1111111111 -0.1297 18 C -5.0293 -0.2902 -1.0494 C.ar 1 UNL1111111111 -0.1307 19 C -5.6434 -0.4287 0.1938 C.ar 1 UNL1111111111 -0.1694 20 C 5.1922 -1.5290 1.2143 C.3 1 UNL1111111111 -0.2810 21 C 6.0609 0.0936 -0.3642 C.3 1 UNL1111111111 -0.2827 22 H -1.8753 1.3826 -1.2093 H 1 UNL1111111111 0.1501 23 H -0.8224 0.4042 -2.2329 H 1 UNL1111111111 0.1350 24 H -1.2343 -0.0302 1.9824 H 1 UNL1111111111 0.1397 25 H -1.7430 1.4231 1.1196 H 1 UNL1111111111 0.1458 26 H -0.1472 2.7706 -2.2867 H 1 UNL1111111111 0.1239 27 H 1.1539 1.7702 -1.6319 H 1 UNL1111111111 0.1385 28 H -0.0748 2.0509 2.7511 H 1 UNL1111111111 0.1246 29 H 1.0098 0.7288 2.2870 H 1 UNL1111111111 0.1390 30 H -1.1012 -1.9747 0.5125 H 1 UNL1111111111 0.1674 31 H -1.2537 -1.7172 -1.2213 H 1 UNL1111111111 0.1543 32 H -0.8258 3.2445 0.2151 H 1 UNL1111111111 0.1390 33 H 0.6099 4.0311 -0.4355 H 1 UNL1111111111 0.1237 34 H 1.8880 1.8452 0.4622 H 1 UNL1111111111 0.1425 35 H 1.5443 3.2086 1.5308 H 1 UNL1111111111 0.1219 36 H 0.7048 -1.8229 -1.4278 H 1 UNL1111111111 0.1154 37 H 1.4861 -0.2783 -1.9114 H 1 UNL1111111111 0.1183 38 H 3.1177 -2.2538 -1.2786 H 1 UNL1111111111 0.1599 39 H 2.5133 -2.0938 0.3798 H 1 UNL1111111111 0.1525 40 H -2.9627 -1.4625 2.0104 H 1 UNL1111111111 0.1528 41 H -3.2010 -0.4620 -2.1689 H 1 UNL1111111111 0.1509 42 H 3.6827 0.2907 -1.2050 H 1 UNL1111111111 0.1331 43 H 3.3346 0.2356 0.5423 H 1 UNL1111111111 0.1256 44 H -5.3739 -0.9694 2.2614 H 1 UNL1111111111 0.1454 45 H -5.6121 0.0302 -1.9104 H 1 UNL1111111111 0.1450 46 H -6.7025 -0.2122 0.3061 H 1 UNL1111111111 0.1459 47 H 4.4609 -2.3439 1.3428 H 1 UNL1111111111 0.1452 48 H 6.1949 -1.9780 1.2979 H 1 UNL1111111111 0.1405 49 H 5.0594 -0.8118 2.0378 H 1 UNL1111111111 0.1193 50 H 5.9892 0.9608 0.3081 H 1 UNL1111111111 0.1187 51 H 5.9864 0.4470 -1.4058 H 1 UNL1111111111 0.1433 52 H 7.0607 -0.3554 -0.2481 H 1 UNL1111111111 0.1417 @BOND 1 1 3 1 2 1 12 1 3 2 16 1 4 2 20 1 5 2 21 1 6 3 4 1 7 3 5 1 8 3 8 1 9 4 6 1 10 4 22 1 11 4 23 1 12 5 7 1 13 5 24 1 14 5 25 1 15 6 9 1 16 6 26 1 17 6 27 1 18 7 10 1 19 7 28 1 20 7 29 1 21 8 11 1 22 8 30 1 23 8 31 1 24 9 10 1 25 9 32 1 26 9 33 1 27 10 34 1 28 10 35 1 29 11 14 ar 30 11 15 ar 31 12 13 1 32 12 36 1 33 12 37 1 34 13 16 1 35 13 38 1 36 13 39 1 37 14 17 ar 38 14 40 1 39 15 18 ar 40 15 41 1 41 16 42 1 42 16 43 1 43 17 19 ar 44 17 44 1 45 18 19 ar 46 18 45 1 47 19 46 1 48 20 47 1 49 20 48 1 50 20 49 1 51 21 50 1 52 21 51 1 53 21 52 1