@MOLECULE adda 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.6334 -0.4358 2.0744 C.3 1 UNL1111111111 -0.2031 2 O -2.6433 0.8220 1.4273 O.3 1 UNL1111111111 -0.3872 3 C -2.6060 0.7461 0.0106 C.3 1 UNL1111111111 0.1137 4 C -4.0208 1.0637 -0.5132 C.3 1 UNL1111111111 -0.3426 5 C -4.9212 -0.1186 -0.3488 C.ar 1 UNL1111111111 0.0272 6 C -5.8172 -0.1753 0.7217 C.ar 1 UNL1111111111 -0.1747 7 C -6.6515 -1.2795 0.8760 C.ar 1 UNL1111111111 -0.1375 8 C -6.5945 -2.3323 -0.0358 C.ar 1 UNL1111111111 -0.1692 9 C -5.7006 -2.2778 -1.1039 C.ar 1 UNL1111111111 -0.1349 10 C -4.8661 -1.1742 -1.2624 C.ar 1 UNL1111111111 -0.1889 11 C -1.5739 1.8169 -0.4343 C.3 1 UNL1111111111 -0.1206 12 C -1.9295 3.2080 0.1009 C.3 1 UNL1111111111 -0.4384 13 C -0.2391 1.4066 0.1036 C.2 1 UNL1111111111 -0.1863 14 C 0.7892 0.9563 -0.6303 C.2 1 UNL1111111111 -0.0108 15 C 0.7365 0.7852 -2.1130 C.3 1 UNL1111111111 -0.4450 16 C 2.0476 0.6094 0.0364 C.2 1 UNL1111111111 -0.1661 17 C 3.2523 0.9313 -0.4464 C.2 1 UNL1111111111 -0.1619 18 C 4.5255 0.5582 0.2663 C.3 1 UNL1111111111 0.0663 19 N 5.4942 1.6540 0.1111 N.3 1 UNL1111111111 -0.6499 20 C 5.0259 -0.8125 -0.3094 C.3 1 UNL1111111111 -0.2272 21 C 4.0726 -1.9459 0.0645 C.3 1 UNL1111111111 -0.4362 22 C 6.3869 -1.1458 0.2347 C.2 1 UNL1111111111 0.6373 23 O 6.8692 -2.2716 -0.3523 O.3 1 UNL1111111111 -0.5599 24 O 7.0475 -0.5629 1.0560 O.2 1 UNL1111111111 -0.5252 25 H -2.7162 -0.1682 3.1350 H 1 UNL1111111111 0.1444 26 H -3.4908 -1.0450 1.7696 H 1 UNL1111111111 0.1300 27 H -1.6931 -0.9618 1.8845 H 1 UNL1111111111 0.1206 28 H -2.2756 -0.2576 -0.3330 H 1 UNL1111111111 0.1228 29 H -4.4155 1.9428 0.0396 H 1 UNL1111111111 0.1704 30 H -3.9728 1.3770 -1.5743 H 1 UNL1111111111 0.1554 31 H -5.8568 0.6431 1.4387 H 1 UNL1111111111 0.1585 32 H -7.3496 -1.3197 1.7098 H 1 UNL1111111111 0.1483 33 H -7.2470 -3.1934 0.0851 H 1 UNL1111111111 0.1484 34 H -5.6562 -3.0982 -1.8171 H 1 UNL1111111111 0.1460 35 H -4.1724 -1.1337 -2.0985 H 1 UNL1111111111 0.1503 36 H -1.5685 1.8520 -1.5503 H 1 UNL1111111111 0.1397 37 H -2.1158 3.1788 1.1833 H 1 UNL1111111111 0.1629 38 H -1.1126 3.9174 -0.0737 H 1 UNL1111111111 0.1458 39 H -2.8276 3.6086 -0.3785 H 1 UNL1111111111 0.1413 40 H -0.1584 1.5041 1.1889 H 1 UNL1111111111 0.1633 41 H 0.7761 1.7594 -2.6229 H 1 UNL1111111111 0.1574 42 H 1.5724 0.1844 -2.4951 H 1 UNL1111111111 0.1518 43 H -0.1864 0.2818 -2.4328 H 1 UNL1111111111 0.1531 44 H 1.9348 0.0776 0.9838 H 1 UNL1111111111 0.1528 45 H 3.3790 1.4971 -1.3665 H 1 UNL1111111111 0.1551 46 H 4.3465 0.4371 1.3702 H 1 UNL1111111111 0.1619 47 H 6.3235 1.4988 0.6679 H 1 UNL1111111111 0.2770 48 H 5.7536 1.8216 -0.8446 H 1 UNL1111111111 0.2485 49 H 5.0924 -0.7368 -1.4244 H 1 UNL1111111111 0.1757 50 H 3.9661 -2.0529 1.1509 H 1 UNL1111111111 0.1541 51 H 3.0689 -1.7737 -0.3487 H 1 UNL1111111111 0.1641 52 H 4.4225 -2.9105 -0.3305 H 1 UNL1111111111 0.1650 53 H 7.7590 -2.5440 -0.0154 H 1 UNL1111111111 0.3567 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 3 4 1 7 3 11 1 8 3 28 1 9 4 5 1 10 4 29 1 11 4 30 1 12 5 6 ar 13 5 10 ar 14 6 7 ar 15 6 31 1 16 7 8 ar 17 7 32 1 18 8 9 ar 19 8 33 1 20 9 10 ar 21 9 34 1 22 10 35 1 23 11 12 1 24 11 13 1 25 11 36 1 26 12 37 1 27 12 38 1 28 12 39 1 29 13 14 2 30 13 40 1 31 14 15 1 32 14 16 1 33 15 41 1 34 15 42 1 35 15 43 1 36 16 17 2 37 16 44 1 38 17 18 1 39 17 45 1 40 18 19 1 41 18 20 1 42 18 46 1 43 19 47 1 44 19 48 1 45 20 21 1 46 20 22 1 47 20 49 1 48 21 50 1 49 21 51 1 50 21 52 1 51 22 23 1 52 22 24 2 53 23 53 1