@MOLECULE ndga 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.8785 -0.5011 1.7203 O.3 1 UNL1111111111 -0.4507 2 O 6.4108 -0.9916 -0.1787 O.3 1 UNL1111111111 -0.4918 3 O -6.9140 0.6089 -0.5424 O.3 1 UNL1111111111 -0.4919 4 O 6.5256 1.7281 0.0157 O.3 1 UNL1111111111 -0.4511 5 C -0.7789 -0.8945 -0.4726 C.3 1 UNL1111111111 -0.0867 6 C 0.7428 -0.7363 -0.7032 C.3 1 UNL1111111111 -0.0852 7 C -1.3381 0.3513 0.2559 C.3 1 UNL1111111111 -0.3022 8 C 1.5425 -0.8480 0.6119 C.3 1 UNL1111111111 -0.2974 9 C -1.1340 -2.1664 0.3004 C.3 1 UNL1111111111 -0.4509 10 C 1.2423 -1.7677 -1.7220 C.3 1 UNL1111111111 -0.4550 11 C -2.8162 0.4525 0.0369 C.ar 1 UNL1111111111 0.0348 12 C 2.8795 -0.1917 0.4648 C.ar 1 UNL1111111111 0.0251 13 C -3.6953 -0.0583 0.9962 C.ar 1 UNL1111111111 -0.2354 14 C 4.0153 -0.9682 0.2109 C.ar 1 UNL1111111111 -0.2667 15 C -3.3082 1.0380 -1.1306 C.ar 1 UNL1111111111 -0.1913 16 C 2.9860 1.1967 0.5686 C.ar 1 UNL1111111111 -0.1839 17 C -5.0650 0.0153 0.7667 C.ar 1 UNL1111111111 0.2185 18 C 5.2401 -0.3324 0.0622 C.ar 1 UNL1111111111 0.1523 19 C -4.6826 1.1178 -1.3649 C.ar 1 UNL1111111111 -0.2133 20 C 4.2161 1.8341 0.4164 C.ar 1 UNL1111111111 -0.1800 21 C -5.5537 0.6035 -0.4158 C.ar 1 UNL1111111111 0.1169 22 C 5.3488 1.0664 0.1601 C.ar 1 UNL1111111111 0.1833 23 H -1.2648 -0.9512 -1.4796 H 1 UNL1111111111 0.1401 24 H 0.9182 0.2817 -1.1349 H 1 UNL1111111111 0.1376 25 H -1.0979 0.3018 1.3365 H 1 UNL1111111111 0.1523 26 H -0.8320 1.2670 -0.1113 H 1 UNL1111111111 0.1499 27 H 0.9774 -0.3764 1.4420 H 1 UNL1111111111 0.1531 28 H 1.6444 -1.9116 0.9025 H 1 UNL1111111111 0.1507 29 H -2.2233 -2.2804 0.3817 H 1 UNL1111111111 0.1530 30 H -0.7303 -2.1585 1.3175 H 1 UNL1111111111 0.1434 31 H -0.7502 -3.0602 -0.2024 H 1 UNL1111111111 0.1427 32 H 1.0859 -2.7938 -1.3748 H 1 UNL1111111111 0.1439 33 H 0.7289 -1.6619 -2.6834 H 1 UNL1111111111 0.1427 34 H 2.3161 -1.6424 -1.9086 H 1 UNL1111111111 0.1489 35 H -3.3291 -0.5132 1.9143 H 1 UNL1111111111 0.1789 36 H 3.9372 -2.0479 0.1314 H 1 UNL1111111111 0.1622 37 H -2.6166 1.4342 -1.8708 H 1 UNL1111111111 0.1579 38 H 2.0973 1.7928 0.7692 H 1 UNL1111111111 0.1582 39 H -5.0574 1.5738 -2.2764 H 1 UNL1111111111 0.1580 40 H 4.3068 2.9157 0.4943 H 1 UNL1111111111 0.1743 41 H -6.8340 -0.3812 1.4726 H 1 UNL1111111111 0.3418 42 H 6.2649 -1.9601 -0.2987 H 1 UNL1111111111 0.3372 43 H -7.1998 1.1065 -1.3451 H 1 UNL1111111111 0.3362 44 H 7.2657 1.0930 -0.1711 H 1 UNL1111111111 0.3395 @BOND 1 1 17 1 2 1 41 1 3 2 18 1 4 2 42 1 5 3 21 1 6 3 43 1 7 4 22 1 8 4 44 1 9 5 6 1 10 5 7 1 11 5 9 1 12 5 23 1 13 6 8 1 14 6 10 1 15 6 24 1 16 7 11 1 17 7 25 1 18 7 26 1 19 8 12 1 20 8 27 1 21 8 28 1 22 9 29 1 23 9 30 1 24 9 31 1 25 10 32 1 26 10 33 1 27 10 34 1 28 11 13 ar 29 11 15 ar 30 12 14 ar 31 12 16 ar 32 13 17 ar 33 13 35 1 34 14 18 ar 35 14 36 1 36 15 19 ar 37 15 37 1 38 16 20 ar 39 16 38 1 40 17 21 ar 41 18 22 ar 42 19 21 ar 43 19 39 1 44 20 22 ar 45 20 40 1