@MOLECULE labradorin 1 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9986 -0.3549 0.3936 O.2 1 UNL1111111111 -0.2420 2 N 3.4308 -1.4097 -0.4240 N.ar 1 UNL1111111111 -0.3609 3 N -2.3117 -2.1652 0.1993 N.ar 1 UNL1111111111 -0.3955 4 C -3.8058 0.8540 -0.4993 C.3 1 UNL1111111111 -0.0443 5 C -3.3507 0.0971 0.7710 C.3 1 UNL1111111111 -0.2980 6 C 1.2012 -1.1458 -0.0620 C.ar 1 UNL1111111111 -0.1448 7 C -2.2909 -0.8726 0.4524 C.ar 1 UNL1111111111 0.2748 8 C 1.8289 0.1441 0.0792 C.ar 1 UNL1111111111 -0.0435 9 C -0.1817 -1.4311 0.0712 C.ar 1 UNL1111111111 0.1125 10 C -2.7071 1.7985 -0.9918 C.3 1 UNL1111111111 -0.4582 11 C -5.0833 1.6400 -0.1875 C.3 1 UNL1111111111 -0.4565 12 C 3.2265 -0.0531 -0.1539 C.ar 1 UNL1111111111 0.0995 13 C 2.2046 -2.0634 -0.3655 C.ar 1 UNL1111111111 0.0016 14 C -0.9833 -2.5473 -0.0481 C.ar 1 UNL1111111111 -0.1109 15 C 1.3598 1.4289 0.3695 C.ar 1 UNL1111111111 -0.1013 16 C 4.1457 1.0021 -0.0990 C.ar 1 UNL1111111111 -0.2120 17 C 2.2694 2.4697 0.4223 C.ar 1 UNL1111111111 -0.1809 18 C 3.6456 2.2579 0.1911 C.ar 1 UNL1111111111 -0.1132 19 H -4.0276 0.1034 -1.2983 H 1 UNL1111111111 0.1432 20 H -4.2190 -0.4362 1.2222 H 1 UNL1111111111 0.1772 21 H -3.0035 0.8199 1.5408 H 1 UNL1111111111 0.1713 22 H -3.0170 2.3290 -1.8989 H 1 UNL1111111111 0.1462 23 H -2.4507 2.5525 -0.2401 H 1 UNL1111111111 0.1467 24 H -1.7866 1.2518 -1.2354 H 1 UNL1111111111 0.1573 25 H -5.8975 0.9783 0.1277 H 1 UNL1111111111 0.1446 26 H -4.9225 2.3750 0.6085 H 1 UNL1111111111 0.1457 27 H -5.4333 2.1873 -1.0704 H 1 UNL1111111111 0.1472 28 H 2.1224 -3.1214 -0.5410 H 1 UNL1111111111 0.1733 29 H 4.3073 -1.8323 -0.6214 H 1 UNL1111111111 0.3146 30 H -0.7448 -3.5645 -0.2816 H 1 UNL1111111111 0.1850 31 H 0.2985 1.5944 0.5488 H 1 UNL1111111111 0.1646 32 H 5.2015 0.8363 -0.2771 H 1 UNL1111111111 0.1552 33 H 1.9263 3.4777 0.6473 H 1 UNL1111111111 0.1530 34 H 4.3218 3.1103 0.2447 H 1 UNL1111111111 0.1486 @BOND 1 1 7 ar 2 1 9 ar 3 2 12 ar 4 2 13 ar 5 2 29 1 6 3 7 ar 7 3 14 ar 8 4 5 1 9 4 10 1 10 4 11 1 11 4 19 1 12 5 7 1 13 5 20 1 14 5 21 1 15 6 8 ar 16 6 9 1 17 6 13 ar 18 8 12 ar 19 8 15 ar 20 9 14 ar 21 10 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 16 ar 28 13 28 1 29 14 30 1 30 15 17 ar 31 15 31 1 32 16 18 ar 33 16 32 1 34 17 18 ar 35 17 33 1 36 18 34 1