@MOLECULE glybomine b 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6480 -0.8212 -0.4309 O.3 1 UNL1111111111 -0.3471 2 O 5.3404 0.4848 -0.0061 O.3 1 UNL1111111111 -0.4681 3 N 1.4677 -2.3964 0.8168 N.ar 1 UNL1111111111 -0.4336 4 C -0.0321 -0.8625 -0.0481 C.ar 1 UNL1111111111 -0.0698 5 C 1.2986 -0.3035 -0.1397 C.ar 1 UNL1111111111 -0.1403 6 C 0.1097 -2.1604 0.5462 C.ar 1 UNL1111111111 0.1389 7 C -1.3014 -0.4073 -0.4005 C.ar 1 UNL1111111111 0.0179 8 C 2.1951 -1.2787 0.4076 C.ar 1 UNL1111111111 0.2201 9 C -1.5299 0.9558 -0.9716 C.3 1 UNL1111111111 -0.2630 10 C 1.8072 0.8982 -0.6253 C.ar 1 UNL1111111111 -0.0643 11 C -2.3720 -1.2767 -0.1670 C.ar 1 UNL1111111111 0.1188 12 C -0.9743 -3.0031 0.7869 C.ar 1 UNL1111111111 -0.2237 13 C 3.5730 -1.0655 0.4789 C.ar 1 UNL1111111111 -0.4033 14 C 3.1723 1.1406 -0.5682 C.ar 1 UNL1111111111 -0.1030 15 C -2.2297 -2.5436 0.4152 C.ar 1 UNL1111111111 -0.1606 16 C 4.0227 0.1538 -0.0172 C.ar 1 UNL1111111111 0.3113 17 C -1.4212 1.9650 0.1298 C.2 1 UNL1111111111 -0.2329 18 C 3.7659 2.4089 -1.0696 C.3 1 UNL1111111111 -0.4180 19 C -2.4573 2.6219 0.6671 C.2 1 UNL1111111111 0.0735 20 C -2.2538 3.5995 1.7799 C.3 1 UNL1111111111 -0.4570 21 C -3.8708 2.4413 0.2258 C.3 1 UNL1111111111 -0.4674 22 C -4.1947 -1.3867 -1.6172 C.3 1 UNL1111111111 -0.1982 23 H 1.8387 -3.2129 1.2393 H 1 UNL1111111111 0.3193 24 H -0.7882 1.1733 -1.7712 H 1 UNL1111111111 0.1524 25 H -2.5197 1.0106 -1.4753 H 1 UNL1111111111 0.1616 26 H 1.1350 1.6451 -1.0485 H 1 UNL1111111111 0.1649 27 H -0.8434 -3.9758 1.2464 H 1 UNL1111111111 0.1608 28 H 4.2439 -1.8026 0.8928 H 1 UNL1111111111 0.1683 29 H -3.1159 -3.1524 0.5827 H 1 UNL1111111111 0.1635 30 H -0.4083 2.1093 0.5030 H 1 UNL1111111111 0.1547 31 H 4.4982 2.2149 -1.8691 H 1 UNL1111111111 0.1581 32 H 3.0156 3.1021 -1.4687 H 1 UNL1111111111 0.1476 33 H 4.3120 2.9339 -0.2698 H 1 UNL1111111111 0.1595 34 H 5.8986 -0.2277 0.3886 H 1 UNL1111111111 0.3244 35 H -1.1967 3.7217 2.0505 H 1 UNL1111111111 0.1527 36 H -2.6395 4.5925 1.5130 H 1 UNL1111111111 0.1504 37 H -2.7827 3.2736 2.6875 H 1 UNL1111111111 0.1570 38 H -4.0220 2.8104 -0.7972 H 1 UNL1111111111 0.1516 39 H -4.1508 1.3728 0.2301 H 1 UNL1111111111 0.1778 40 H -4.5895 2.9599 0.8703 H 1 UNL1111111111 0.1472 41 H -4.2879 -2.4727 -1.5251 H 1 UNL1111111111 0.1270 42 H -3.5858 -1.1221 -2.4869 H 1 UNL1111111111 0.1282 43 H -5.1838 -0.9179 -1.6767 H 1 UNL1111111111 0.1427 @BOND 1 1 11 1 2 1 22 1 3 2 16 1 4 2 34 1 5 3 6 ar 6 3 8 ar 7 3 23 1 8 4 5 ar 9 4 6 ar 10 4 7 ar 11 5 8 ar 12 5 10 ar 13 6 12 ar 14 7 9 1 15 7 11 ar 16 8 13 ar 17 9 17 1 18 9 24 1 19 9 25 1 20 10 14 ar 21 10 26 1 22 11 15 ar 23 12 15 ar 24 12 27 1 25 13 16 ar 26 13 28 1 27 14 16 ar 28 14 18 1 29 15 29 1 30 17 19 2 31 17 30 1 32 18 31 1 33 18 32 1 34 18 33 1 35 19 20 1 36 19 21 1 37 20 35 1 38 20 36 1 39 20 37 1 40 21 38 1 41 21 39 1 42 21 40 1 43 22 41 1 44 22 42 1 45 22 43 1