@MOLECULE secosethukarailin 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4284 0.8343 -0.5384 O.2 1 UNL1111111111 -0.3009 2 O 2.5799 -0.8774 -1.6113 O.3 1 UNL1111111111 -0.3689 3 O 5.5159 -0.5491 1.0028 O.3 1 UNL1111111111 -0.3925 4 O 3.9960 -2.1680 1.3898 O.2 1 UNL1111111111 -0.4699 5 O -4.8554 -0.6795 -0.8907 O.3 1 UNL1111111111 -0.3934 6 O -5.8065 -1.0360 1.1179 O.2 1 UNL1111111111 -0.4949 7 O -0.3243 2.6858 -1.1566 O.2 1 UNL1111111111 -0.4552 8 O -3.7500 1.7983 1.7389 O.2 1 UNL1111111111 -0.4489 9 C 1.2063 -1.4778 0.1853 C.3 1 UNL1111111111 -0.3234 10 C -0.2439 -1.2462 -0.2712 C.3 1 UNL1111111111 -0.0932 11 C 2.1518 -0.4235 -0.3736 C.3 1 UNL1111111111 0.4287 12 C -1.1742 -2.2190 0.4892 C.3 1 UNL1111111111 -0.2912 13 C 3.3137 -0.0388 0.5494 C.2 1 UNL1111111111 -0.2060 14 C -0.3975 -1.3993 -1.7629 C.2 1 UNL1111111111 0.0456 15 C 3.2578 1.2730 0.8206 C.2 1 UNL1111111111 -0.1248 16 C 2.0785 1.8321 0.1239 C.2 1 UNL1111111111 0.2761 17 C -2.5926 -1.9097 0.1462 C.2 1 UNL1111111111 -0.0660 18 C 0.0601 -2.6818 -2.3755 C.3 1 UNL1111111111 -0.4552 19 C 4.2547 -1.0518 1.0206 C.2 1 UNL1111111111 0.6026 20 C -0.9102 -0.4103 -2.4985 C.2 1 UNL1111111111 -0.3546 21 C -3.4098 -1.1389 0.8731 C.2 1 UNL1111111111 -0.1248 22 C 3.1682 0.0912 -2.4662 C.3 1 UNL1111111111 -0.1956 23 C 1.6291 3.0968 0.0903 C.2 1 UNL1111111111 -0.4316 24 C -3.0798 -0.4428 2.1476 C.3 1 UNL1111111111 -0.3774 25 C -4.8151 -0.9464 0.4410 C.2 1 UNL1111111111 0.5950 26 C 0.4363 3.4891 -0.6702 C.2 1 UNL1111111111 0.5181 27 C -2.8302 1.0356 1.8836 C.2 1 UNL1111111111 0.5120 28 C 6.5441 -1.4462 1.4164 C.3 1 UNL1111111111 -0.1712 29 C 0.1948 4.9658 -0.8096 C.3 1 UNL1111111111 -0.5456 30 C -1.4095 1.4999 1.8257 C.3 1 UNL1111111111 -0.5605 31 C -6.1449 -0.4070 -1.4298 C.3 1 UNL1111111111 -0.1743 32 H 1.5599 -2.4845 -0.1317 H 1 UNL1111111111 0.1836 33 H 1.2662 -1.4853 1.2921 H 1 UNL1111111111 0.1639 34 H -0.5424 -0.1989 0.0148 H 1 UNL1111111111 0.1691 35 H -0.9876 -2.1417 1.5791 H 1 UNL1111111111 0.1480 36 H -0.9295 -3.2678 0.2239 H 1 UNL1111111111 0.1539 37 H 3.9145 1.8726 1.4287 H 1 UNL1111111111 0.1845 38 H -2.9372 -2.3610 -0.7922 H 1 UNL1111111111 0.1666 39 H 1.1554 -2.6723 -2.5017 H 1 UNL1111111111 0.1654 40 H -0.3736 -2.8422 -3.3711 H 1 UNL1111111111 0.1502 41 H -0.1949 -3.5560 -1.7655 H 1 UNL1111111111 0.1455 42 H -1.2202 0.5436 -2.0918 H 1 UNL1111111111 0.1690 43 H -1.0488 -0.4645 -3.5647 H 1 UNL1111111111 0.1440 44 H 2.4201 0.8339 -2.7701 H 1 UNL1111111111 0.1524 45 H 4.0331 0.5650 -1.9963 H 1 UNL1111111111 0.1252 46 H 3.4749 -0.5152 -3.3289 H 1 UNL1111111111 0.1532 47 H 2.1484 3.8840 0.6285 H 1 UNL1111111111 0.1801 48 H -2.2180 -0.9112 2.6605 H 1 UNL1111111111 0.1643 49 H -3.9356 -0.5359 2.8636 H 1 UNL1111111111 0.1947 50 H 6.3883 -1.7470 2.4578 H 1 UNL1111111111 0.1424 51 H 6.5646 -2.3254 0.7628 H 1 UNL1111111111 0.1453 52 H 7.4529 -0.8433 1.3037 H 1 UNL1111111111 0.1490 53 H 1.0435 5.4713 -1.2853 H 1 UNL1111111111 0.1673 54 H -0.6966 5.1626 -1.4259 H 1 UNL1111111111 0.1828 55 H 0.0254 5.4374 0.1666 H 1 UNL1111111111 0.1710 56 H -1.0782 1.5551 0.7675 H 1 UNL1111111111 0.2076 57 H -0.7090 0.8560 2.3621 H 1 UNL1111111111 0.1604 58 H -1.3107 2.5218 2.2195 H 1 UNL1111111111 0.1761 59 H -6.8058 -1.2688 -1.2949 H 1 UNL1111111111 0.1357 60 H -6.5717 0.4800 -0.9476 H 1 UNL1111111111 0.1445 61 H -5.9330 -0.2218 -2.4890 H 1 UNL1111111111 0.1460 @BOND 1 1 11 1 2 1 16 1 3 2 11 1 4 2 22 1 5 3 19 1 6 3 28 1 7 4 19 2 8 5 25 1 9 5 31 1 10 6 25 2 11 7 26 2 12 8 27 2 13 9 10 1 14 9 11 1 15 9 32 1 16 9 33 1 17 10 12 1 18 10 14 1 19 10 34 1 20 11 13 1 21 12 17 1 22 12 35 1 23 12 36 1 24 13 15 2 25 13 19 1 26 14 18 1 27 14 20 2 28 15 16 1 29 15 37 1 30 16 23 2 31 17 21 2 32 17 38 1 33 18 39 1 34 18 40 1 35 18 41 1 36 20 42 1 37 20 43 1 38 21 24 1 39 21 25 1 40 22 44 1 41 22 45 1 42 22 46 1 43 23 26 1 44 23 47 1 45 24 27 1 46 24 48 1 47 24 49 1 48 26 29 1 49 27 30 1 50 28 50 1 51 28 51 1 52 28 52 1 53 29 53 1 54 29 54 1 55 29 55 1 56 30 56 1 57 30 57 1 58 30 58 1 59 31 59 1 60 31 60 1 61 31 61 1