@MOLECULE FDBD01411 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9268 0.2799 -1.9482 O.3 1 UNK -0.3632 2 O1 0.7790 0.3854 0.5281 O.3 1 UNK -0.4495 3 O2 0.3353 2.1633 -2.4903 O.co2 1 UNK -0.5459 4 O3 0.1780 2.9491 -0.3690 O.co2 1 UNK -0.5459 5 N 2.7906 0.7729 -0.5507 N.ar 1 UNK -0.2002 6 N1 2.6818 -0.5400 1.4671 N.ar 1 UNK -0.2002 7 C -1.3644 0.0333 -0.6414 C.3 1 UNK 0.1609 8 C1 0.1084 0.5468 -0.7129 C.3 1 UNK 0.1791 9 C2 -2.1537 0.8317 0.4123 C.ar 1 UNK -0.0075 10 C3 -1.5330 -1.4852 -0.4497 C.ar 1 UNK -0.0075 11 C4 -1.8484 0.6393 1.7355 C.ar 1 UNK -0.0554 12 C5 -2.7964 -2.0131 -0.5272 C.ar 1 UNK -0.0554 13 C6 -3.1249 1.6971 -0.0221 C.ar 1 UNK -0.0554 14 C7 -0.4120 -2.2379 -0.2102 C.ar 1 UNK -0.0554 15 C8 0.1994 2.0057 -1.1503 C.2 1 UNK 0.0856 16 C9 -1.2225 -0.4405 -2.9388 C.3 1 UNK 0.0382 17 C10 -2.5637 1.3626 2.6900 C.ar 1 UNK -0.0614 18 C11 -2.9492 -3.3886 -0.3533 C.ar 1 UNK -0.0614 19 C12 -3.8400 2.4204 0.9325 C.ar 1 UNK -0.0614 20 C13 -0.5646 -3.6135 -0.0365 C.ar 1 UNK -0.0614 21 C14 -3.5594 2.2532 2.2885 C.ar 1 UNK -0.0617 22 C15 -1.8334 -4.1889 -0.1081 C.ar 1 UNK -0.0617 23 C16 2.1366 0.1987 0.4793 C.ar 1 UNK 0.3191 24 C17 4.1243 0.5694 -0.5671 C.ar 1 UNK 0.0453 25 C18 4.0187 -0.7032 1.3887 C.ar 1 UNK 0.0453 26 C19 4.7992 -0.1671 0.3848 C.ar 1 UNK -0.0193 27 C20 4.8825 1.1868 -1.6940 C.3 1 UNK -0.0221 28 C21 4.6586 -1.5176 2.4628 C.3 1 UNK -0.0221 29 H 0.5903 -0.0550 -1.4548 H 1 UNK 0.0834 30 H1 -1.1090 -0.0231 2.0175 H 1 UNK 0.0621 31 H2 -3.6127 -1.4085 -0.7094 H 1 UNK 0.0621 32 H3 -3.3215 1.8102 -1.0289 H 1 UNK 0.0621 33 H4 0.5202 -1.7981 -0.1598 H 1 UNK 0.0621 34 H5 -1.6546 -0.2439 -3.8977 H 1 UNK 0.0524 35 H6 -1.2825 -1.4879 -2.7285 H 1 UNK 0.0524 36 H7 -0.1970 -0.1352 -2.9404 H 1 UNK 0.0524 37 H8 -2.3562 1.2388 3.6933 H 1 UNK 0.0618 38 H9 -3.8879 -3.8142 -0.4061 H 1 UNK 0.0618 39 H10 -4.5767 3.0792 0.6354 H 1 UNK 0.0618 40 H11 0.2610 -4.2055 0.1450 H 1 UNK 0.0618 41 H12 -4.0884 2.7884 2.9947 H 1 UNK 0.0618 42 H13 -1.9465 -5.2066 0.0203 H 1 UNK 0.0618 43 H14 5.8209 -0.3078 0.3484 H 1 UNK 0.0653 44 H15 4.2057 1.7166 -2.3313 H 1 UNK 0.0293 45 H16 5.3746 0.4201 -2.2552 H 1 UNK 0.0293 46 H17 5.6110 1.8664 -1.3037 H 1 UNK 0.0293 47 H18 3.9105 -1.8506 3.1515 H 1 UNK 0.0293 48 H19 5.3800 -0.9209 2.9809 H 1 UNK 0.0293 49 H20 5.1442 -2.3653 2.0263 H 1 UNK 0.0293 @BOND 1 1 7 1 2 1 16 1 3 2 8 1 4 2 23 1 5 3 15 ar 6 4 15 ar 7 5 23 ar 8 5 24 ar 9 6 23 ar 10 6 25 ar 11 7 8 1 12 7 9 1 13 7 10 1 14 8 15 1 15 9 11 ar 16 9 13 ar 17 10 12 ar 18 10 14 ar 19 11 17 ar 20 12 18 ar 21 13 19 ar 22 14 20 ar 23 17 21 ar 24 18 22 ar 25 19 21 ar 26 20 22 ar 27 24 26 ar 28 24 27 1 29 25 26 ar 30 25 28 1 31 8 29 1 32 11 30 1 33 12 31 1 34 13 32 1 35 14 33 1 36 16 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 18 38 1 41 19 39 1 42 20 40 1 43 21 41 1 44 22 42 1 45 26 43 1 46 27 44 1 47 27 45 1 48 27 46 1 49 28 47 1 50 28 48 1 51 28 49 1