@MOLECULE FDBD02690 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 13.6888 1.0638 13.0522 C.3 1 UNK -0.0280 2 C1 13.3824 -0.2328 12.3118 C.3 1 UNK 0.0978 3 C2 13.6200 -1.4396 13.2107 C.3 1 UNK -0.0280 4 O 11.9961 -0.2635 11.9205 O.3 1 UNK -0.4584 5 C3 11.6995 0.3826 10.7640 C.2 1 UNK 0.3394 6 O1 12.4776 1.0341 10.0881 O.2 1 UNK -0.2450 7 C4 10.2897 0.1282 10.3682 C.ar 1 UNK 0.0591 8 C5 9.3534 -0.4610 11.2215 C.ar 1 UNK -0.0460 9 C6 8.0542 -0.7184 10.7628 C.ar 1 UNK -0.0401 10 C7 7.6651 -0.4092 9.4516 C.ar 1 UNK 0.0274 11 C8 8.6190 0.1729 8.6118 C.ar 1 UNK -0.0401 12 C9 9.9089 0.4624 9.0664 C.ar 1 UNK -0.0460 13 N 6.4075 -0.7839 9.0213 N.pl3 1 UNK -0.3396 14 C10 6.0633 -1.0475 7.6315 C.3 1 UNK 0.0378 15 C11 5.7288 0.1948 6.8353 C.ar 1 UNK 0.0119 16 C12 5.1064 1.3004 7.4404 C.ar 1 UNK -0.0536 17 C13 4.7597 2.4258 6.6919 C.ar 1 UNK -0.0612 18 C14 5.0108 2.4573 5.3235 C.ar 1 UNK -0.0583 19 C15 5.6056 1.3620 4.6989 C.ar 1 UNK -0.0189 20 C16 5.9779 0.2385 5.4484 C.ar 1 UNK 0.1365 21 O2 6.4801 -0.9024 4.8589 O.3 1 UNK -0.4232 22 C17 7.3796 -0.7714 3.8115 C.ar 1 UNK 0.3296 23 N1 7.2943 -1.7326 2.8815 N.ar 1 UNK -0.1591 24 C18 8.1851 -1.6543 1.8814 C.ar 1 UNK 0.2240 25 C19 9.1465 -0.6816 1.7877 C.ar 1 UNK 0.0617 26 C20 9.1516 0.2339 2.8095 C.ar 1 UNK 0.2240 27 N2 8.2893 0.2158 3.8391 N.ar 1 UNK -0.1591 28 O3 10.1252 1.2114 2.7359 O.3 1 UNK -0.4794 29 C21 10.0435 2.1720 3.7840 C.3 1 UNK 0.0804 30 O4 8.1611 -2.5873 0.8621 O.3 1 UNK -0.4794 31 C22 7.1676 -3.5927 1.0418 C.3 1 UNK 0.0804 32 H 13.5149 1.8955 12.4019 H 1 UNK 0.0265 33 H1 14.7123 1.0630 13.3643 H 1 UNK 0.0265 34 H2 13.0543 1.1431 13.9101 H 1 UNK 0.0265 35 H3 14.0253 -0.2723 11.4574 H 1 UNK 0.0728 36 H4 12.9706 -1.3856 14.0594 H 1 UNK 0.0265 37 H5 14.6380 -1.4439 13.5403 H 1 UNK 0.0265 38 H6 13.4184 -2.3369 12.6638 H 1 UNK 0.0265 39 H7 9.6180 -0.7064 12.1883 H 1 UNK 0.0626 40 H8 7.3682 -1.1453 11.4048 H 1 UNK 0.0636 41 H9 8.3658 0.3935 7.6360 H 1 UNK 0.0636 42 H10 10.5832 0.9253 8.4371 H 1 UNK 0.0626 43 H11 5.6984 -0.8788 9.6976 H 1 UNK 0.1464 44 H12 5.2142 -1.6983 7.6126 H 1 UNK 0.0512 45 H13 6.9270 -1.4847 7.1757 H 1 UNK 0.0512 46 H14 4.9031 1.2795 8.4520 H 1 UNK 0.0622 47 H15 4.3167 3.2355 7.1535 H 1 UNK 0.0618 48 H16 4.7568 3.2912 4.7712 H 1 UNK 0.0619 49 H17 5.7723 1.3789 3.6806 H 1 UNK 0.0654 50 H18 9.8179 -0.6409 1.0051 H 1 UNK 0.0724 51 H19 10.8229 2.8956 3.6662 H 1 UNK 0.0660 52 H20 10.1531 1.6802 4.7279 H 1 UNK 0.0660 53 H21 9.0931 2.6620 3.7454 H 1 UNK 0.0660 54 H22 7.2027 -4.2794 0.2219 H 1 UNK 0.0660 55 H23 6.2010 -3.1356 1.0831 H 1 UNK 0.0660 56 H24 7.3530 -4.1181 1.9553 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 4 1 21 4 5 1 22 5 7 1 23 10 13 1 24 13 14 1 25 14 15 1 26 20 21 1 27 21 22 1 28 24 30 1 29 30 31 1 30 26 28 1 31 28 29 1 32 5 6 2 33 2 3 1 34 1 32 1 35 1 33 1 36 1 34 1 37 2 35 1 38 3 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