@MOLECULE FDBD00272 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.0189 0.6105 -1.1740 S.3 1 UNK -0.0857 2 N -3.2584 -0.3276 0.1418 N.4 1 UNK 0.2379 3 N1 0.4603 -0.0774 0.4522 N.pl3 1 UNK -0.2929 4 C -1.9003 0.0524 -0.2519 C.3 1 UNK -0.0074 5 C1 -0.9181 -0.4203 0.8250 C.3 1 UNK 0.0600 6 C2 -1.5967 -0.5587 -1.6198 C.3 1 UNK -0.0201 7 C3 -3.3771 -1.7823 0.2231 C.3 1 UNK -0.0345 8 C4 -4.2333 0.2142 -0.8032 C.3 1 UNK -0.0345 9 C5 1.3682 -1.1480 0.2524 C.ar 1 UNK 0.0480 10 C6 0.7960 1.2986 0.3869 C.ar 1 UNK 0.0480 11 C7 2.5750 -0.9554 -0.4489 C.ar 1 UNK 0.0341 12 C8 1.9461 1.7337 -0.3009 C.ar 1 UNK 0.0341 13 C9 -4.7396 -2.1916 0.6803 C.3 1 UNK -0.0245 14 C10 -4.1275 1.7016 -0.9000 C.3 1 UNK -0.0245 15 C11 1.1283 -2.4388 0.7723 C.ar 1 UNK -0.0393 16 C12 0.0225 2.2884 1.0321 C.ar 1 UNK -0.0393 17 C13 3.4756 -2.0188 -0.6374 C.ar 1 UNK -0.0462 18 C14 2.2790 3.0989 -0.3554 C.ar 1 UNK -0.0462 19 C15 2.0292 -3.4909 0.5864 C.ar 1 UNK -0.0599 20 C16 0.3607 3.6435 0.9790 C.ar 1 UNK -0.0599 21 C17 3.2026 -3.2815 -0.1219 C.ar 1 UNK -0.0606 22 C18 1.4884 4.0495 0.2819 C.ar 1 UNK -0.0606 23 H -3.4509 0.0638 1.0638 H 1 UNK 0.2036 24 H1 -1.8038 1.1147 -0.3363 H 1 UNK 0.0864 25 H2 -1.1596 0.0531 1.7537 H 1 UNK 0.0524 26 H3 -0.9958 -1.4832 0.9208 H 1 UNK 0.0524 27 H4 -1.6865 -1.6234 -1.5627 H 1 UNK 0.0285 28 H5 -0.6007 -0.3000 -1.9129 H 1 UNK 0.0285 29 H6 -2.2904 -0.1805 -2.3413 H 1 UNK 0.0285 30 H7 -2.6510 -2.1530 0.9161 H 1 UNK 0.0812 31 H8 -3.2120 -2.1895 -0.7525 H 1 UNK 0.0812 32 H9 -5.2182 -0.0445 -0.4745 H 1 UNK 0.0812 33 H10 -4.0348 -0.2019 -1.7688 H 1 UNK 0.0812 34 H11 -4.9231 -1.7929 1.6561 H 1 UNK 0.0281 35 H12 -4.7985 -3.2594 0.7144 H 1 UNK 0.0281 36 H13 -5.4728 -1.8156 -0.0023 H 1 UNK 0.0281 37 H14 -4.3232 2.1362 0.0580 H 1 UNK 0.0281 38 H15 -4.8419 2.0646 -1.6090 H 1 UNK 0.0281 39 H16 -3.1416 1.9691 -1.2183 H 1 UNK 0.0281 40 H17 0.2616 -2.6104 1.3056 H 1 UNK 0.0636 41 H18 -0.8178 2.0026 1.5587 H 1 UNK 0.0636 42 H19 4.3489 -1.8606 -1.1641 H 1 UNK 0.0629 43 H20 3.1193 3.3989 -0.8740 H 1 UNK 0.0629 44 H21 1.8211 -4.4235 0.9762 H 1 UNK 0.0618 45 H22 -0.2288 4.3417 1.4585 H 1 UNK 0.0618 46 H23 3.8685 -4.0567 -0.2656 H 1 UNK 0.0618 47 H24 1.7393 5.0495 0.2362 H 1 UNK 0.0618 @BOND 1 1 11 1 2 1 12 1 3 2 4 1 4 2 7 1 5 2 8 1 6 3 5 1 7 3 9 1 8 3 10 1 9 4 5 1 10 4 6 1 11 7 13 1 12 8 14 1 13 9 11 ar 14 9 15 ar 15 10 12 ar 16 10 16 ar 17 11 17 ar 18 12 18 ar 19 15 19 ar 20 16 20 ar 21 17 21 ar 22 18 22 ar 23 19 21 ar 24 20 22 ar 25 2 23 1 26 4 24 1 27 5 25 1 28 5 26 1 29 6 27 1 30 6 28 1 31 6 29 1 32 7 30 1 33 7 31 1 34 8 32 1 35 8 33 1 36 13 34 1 37 13 35 1 38 13 36 1 39 14 37 1 40 14 38 1 41 14 39 1 42 15 40 1 43 16 41 1 44 17 42 1 45 18 43 1 46 19 44 1 47 20 45 1 48 21 46 1 49 22 47 1