@MOLECULE FDBD01462 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.2991 -2.1848 0.3841 S.O2 1 UNK 0.0766 2 O -0.7039 -3.5281 0.0135 O.2 1 UNK -0.1498 3 O1 0.2792 -1.9417 1.6917 O.2 1 UNK -0.1498 4 N 2.5404 0.0561 -0.1781 N.ar 1 UNK -0.0547 5 N1 0.7244 -1.5721 -0.8441 N.pl3 1 UNK -0.1592 6 N2 3.8574 0.0758 0.1164 N.ar 1 UNK -0.1631 7 N3 -5.1073 1.2731 -0.1458 N.pl3 1 UNK -0.3580 8 C 2.0779 -1.1978 -0.4831 C.ar 1 UNK 0.3211 9 C1 -1.7307 -1.1560 0.2267 C.ar 1 UNK 0.1088 10 C2 1.7982 1.2227 -0.1542 C.ar 1 UNK 0.2397 11 C3 3.1575 -2.0408 -0.3809 C.ar 1 UNK 0.0514 12 C4 -2.7515 -1.5475 -0.6205 C.ar 1 UNK -0.0333 13 C5 -1.7988 0.0190 0.9529 C.ar 1 UNK -0.0333 14 C6 4.2252 -1.2021 -0.0089 C.ar 1 UNK 0.0686 15 C7 -3.8791 -0.7360 -0.7456 C.ar 1 UNK -0.0392 16 C8 -2.9266 0.8304 0.8280 C.ar 1 UNK -0.0392 17 C9 0.6989 1.3675 -1.0006 C.ar 1 UNK 0.0125 18 C10 2.1496 2.2552 0.7154 C.ar 1 UNK 0.0125 19 C11 -3.9667 0.4529 -0.0213 C.ar 1 UNK 0.0247 20 C12 -0.0489 2.5448 -0.9772 C.ar 1 UNK -0.0555 21 C13 1.4016 3.4323 0.7389 C.ar 1 UNK -0.0555 22 C14 0.3023 3.5772 -0.1074 C.ar 1 UNK -0.0613 23 H 0.4029 -1.4766 -1.7697 H 1 UNK 0.1795 24 H1 4.4146 0.8485 0.3646 H 1 UNK 0.2364 25 H2 -5.8418 1.0072 -0.7451 H 1 UNK 0.1423 26 H3 -5.1690 2.1115 0.3666 H 1 UNK 0.1423 27 H4 3.1807 -3.0601 -0.5409 H 1 UNK 0.0716 28 H5 -2.6798 -2.4285 -1.1531 H 1 UNK 0.0638 29 H6 -1.0253 0.2920 1.5791 H 1 UNK 0.0638 30 H7 5.1879 -1.5383 0.1498 H 1 UNK 0.0865 31 H8 -4.6486 -1.0152 -1.3741 H 1 UNK 0.0636 32 H9 -2.9914 1.7099 1.3639 H 1 UNK 0.0636 33 H10 0.4389 0.6037 -1.6440 H 1 UNK 0.0684 34 H11 2.9630 2.1482 1.3414 H 1 UNK 0.0684 35 H12 -0.8621 2.6520 -1.6035 H 1 UNK 0.0620 36 H13 1.6615 4.1960 1.3825 H 1 UNK 0.0620 37 H14 -0.2511 4.4481 -0.0900 H 1 UNK 0.0618 @BOND 1 1 2 2 2 1 3 2 3 1 5 1 4 1 9 1 5 4 6 ar 6 4 8 ar 7 4 10 1 8 5 8 1 9 6 14 ar 10 7 19 1 11 8 11 ar 12 9 12 ar 13 9 13 ar 14 10 17 ar 15 10 18 ar 16 11 14 ar 17 12 15 ar 18 13 16 ar 19 15 19 ar 20 16 19 ar 21 17 20 ar 22 18 21 ar 23 20 22 ar 24 21 22 ar 25 5 23 1 26 6 24 1 27 7 25 1 28 7 26 1 29 11 27 1 30 12 28 1 31 13 29 1 32 14 30 1 33 15 31 1 34 16 32 1 35 17 33 1 36 18 34 1 37 20 35 1 38 21 36 1 39 22 37 1