@MOLECULE FDBD02691 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.8126 -5.4272 -4.4706 C.3 1 UNK -0.0622 2 C1 7.1011 -4.1528 -4.0526 C.3 1 UNK -0.0214 3 C2 7.7136 -2.9268 -4.7190 C.3 1 UNK 0.0925 4 O 7.0132 -1.7359 -4.3283 O.3 1 UNK -0.4612 5 C3 7.4188 -1.1798 -3.1590 C.2 1 UNK 0.3392 6 O1 8.2500 -1.6419 -2.3933 O.2 1 UNK -0.2450 7 C4 6.7586 0.1353 -2.9523 C.ar 1 UNK 0.0591 8 C5 5.6683 0.5624 -3.7155 C.ar 1 UNK -0.0460 9 C6 5.1244 1.8385 -3.5133 C.ar 1 UNK -0.0401 10 C7 5.6395 2.7033 -2.5405 C.ar 1 UNK 0.0274 11 C8 6.7407 2.2635 -1.7935 C.ar 1 UNK -0.0401 12 C9 7.2864 0.9899 -1.9811 C.ar 1 UNK -0.0460 13 N 5.1800 4.0027 -2.3552 N.pl3 1 UNK -0.3396 14 C10 3.7755 4.3484 -2.5601 C.3 1 UNK 0.0378 15 C11 3.1992 4.9530 -1.2953 C.ar 1 UNK 0.0119 16 C12 3.2216 4.1978 -0.1062 C.ar 1 UNK -0.0536 17 C13 2.6730 4.7000 1.0730 C.ar 1 UNK -0.0612 18 C14 2.0740 5.9549 1.0774 C.ar 1 UNK -0.0583 19 C15 2.0240 6.7093 -0.0955 C.ar 1 UNK -0.0189 20 C16 2.6034 6.2266 -1.2778 C.ar 1 UNK 0.1365 21 O2 2.5110 6.8986 -2.4762 O.3 1 UNK -0.4232 22 C17 2.6026 8.2820 -2.4888 C.ar 1 UNK 0.3296 23 N1 3.3640 8.9106 -1.5799 N.ar 1 UNK -0.1591 24 C18 3.4100 10.2482 -1.6877 C.ar 1 UNK 0.2240 25 C19 2.7577 10.9613 -2.6605 C.ar 1 UNK 0.0617 26 C20 2.0338 10.2081 -3.5483 C.ar 1 UNK 0.2240 27 N2 1.9397 8.8712 -3.4929 N.ar 1 UNK -0.1591 28 O3 1.3692 10.9038 -4.5402 O.3 1 UNK -0.4794 29 C21 0.6510 10.0578 -5.4344 C.3 1 UNK 0.0804 30 O4 4.1387 10.9896 -0.7771 O.3 1 UNK -0.4794 31 C22 4.7736 10.1931 0.2188 C.3 1 UNK 0.0804 32 H 7.3577 -6.2653 -3.9852 H 1 UNK 0.0231 33 H1 8.8434 -5.3687 -4.1898 H 1 UNK 0.0231 34 H2 7.7381 -5.5458 -5.5314 H 1 UNK 0.0231 35 H3 7.1760 -4.0451 -2.9907 H 1 UNK 0.0295 36 H4 6.0778 -4.2243 -4.3571 H 1 UNK 0.0295 37 H5 7.6536 -3.0374 -5.7816 H 1 UNK 0.0697 38 H6 8.7353 -2.8421 -4.4126 H 1 UNK 0.0697 39 H7 5.2629 -0.0630 -4.4293 H 1 UNK 0.0626 40 H8 4.3283 2.1466 -4.0932 H 1 UNK 0.0636 41 H9 7.1577 2.8930 -1.0900 H 1 UNK 0.0636 42 H10 8.0814 0.6802 -1.4005 H 1 UNK 0.0626 43 H11 5.8141 4.7039 -2.0804 H 1 UNK 0.1464 44 H12 3.2266 3.4652 -2.8124 H 1 UNK 0.0512 45 H13 3.7021 5.0614 -3.3546 H 1 UNK 0.0512 46 H14 3.6504 3.2591 -0.1081 H 1 UNK 0.0622 47 H15 2.7114 4.1419 1.9402 H 1 UNK 0.0618 48 H16 1.6662 6.3286 1.9486 H 1 UNK 0.0619 49 H17 1.5570 7.6296 -0.0928 H 1 UNK 0.0654 50 H18 2.8081 11.9904 -2.7200 H 1 UNK 0.0724 51 H19 0.1613 10.6552 -6.1747 H 1 UNK 0.0660 52 H20 -0.0790 9.4985 -4.8874 H 1 UNK 0.0660 53 H21 1.3315 9.3845 -5.9124 H 1 UNK 0.0660 54 H22 5.3180 10.8260 0.8881 H 1 UNK 0.0660 55 H23 5.4471 9.5062 -0.2497 H 1 UNK 0.0660 56 H24 4.0326 9.6488 0.7661 H 1 UNK 0.0660 @BOND 1 7 8 ar 2 8 9 ar 3 7 12 ar 4 11 12 ar 5 10 11 ar 6 9 10 ar 7 15 16 ar 8 16 17 ar 9 15 20 ar 10 19 20 ar 11 18 19 ar 12 17 18 ar 13 22 27 ar 14 22 23 ar 15 26 27 ar 16 25 26 ar 17 24 25 ar 18 23 24 ar 19 1 2 1 20 2 3 1 21 3 4 1 22 4 5 1 23 5 7 1 24 10 13 1 25 13 14 1 26 14 15 1 27 20 21 1 28 21 22 1 29 24 30 1 30 30 31 1 31 26 28 1 32 28 29 1 33 5 6 2 34 1 32 1 35 1 33 1 36 1 34 1 37 2 35 1 38 2 36 1 39 3 37 1 40 3 38 1 41 8 39 1 42 9 40 1 43 11 41 1 44 12 42 1 45 13 43 1 46 14 44 1 47 14 45 1 48 16 46 1 49 17 47 1 50 18 48 1 51 19 49 1 52 25 50 1 53 29 51 1 54 29 52 1 55 29 53 1 56 31 54 1 57 31 55 1 58 31 56 1