@MOLECULE FDBD00379 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.6947 3.1524 0.1221 S.3 1 UNK -0.0857 2 F 4.8583 1.7724 -0.3395 F 1 UNK -0.1659 3 F1 4.2971 0.2439 1.0932 F 1 UNK -0.1659 4 F2 4.0550 -0.1244 -1.0361 F 1 UNK -0.1659 5 N -0.9856 0.1578 0.5636 N.pl3 1 UNK -0.2981 6 N1 0.0991 -4.5701 -0.3902 N.4 1 UNK 0.2309 7 C -0.6950 -1.1406 1.1854 C.3 1 UNK 0.0221 8 C1 -0.4407 -2.2057 0.1194 C.3 1 UNK 0.0036 9 C2 0.1115 1.0179 0.3048 C.ar 1 UNK 0.0484 10 C3 -2.3324 0.4252 0.2100 C.ar 1 UNK 0.0479 11 C4 -0.1823 -3.6111 0.6711 C.3 1 UNK -0.0309 12 C5 -0.0841 2.3925 0.0651 C.ar 1 UNK 0.0341 13 C6 -2.7703 1.7411 -0.0389 C.ar 1 UNK 0.0341 14 C7 1.4381 0.5386 0.2391 C.ar 1 UNK -0.0276 15 C8 -3.2841 -0.6066 0.0560 C.ar 1 UNK -0.0393 16 C9 2.5184 1.3841 -0.0279 C.ar 1 UNK 0.0566 17 C10 1.0068 3.2396 -0.1984 C.ar 1 UNK -0.0457 18 C11 -4.1055 1.9999 -0.3965 C.ar 1 UNK -0.0462 19 C12 2.3029 2.7367 -0.2436 C.ar 1 UNK -0.0490 20 C13 -4.6086 -0.3442 -0.3045 C.ar 1 UNK -0.0599 21 C14 0.4039 -5.8870 0.1723 C.3 1 UNK -0.0433 22 C15 1.2091 -4.1054 -1.2241 C.3 1 UNK -0.0433 23 C16 -5.0206 0.9607 -0.5276 C.ar 1 UNK -0.0606 24 C17 3.9036 0.8323 -0.0748 C.3 1 UNK 0.4175 25 H -0.7332 -4.6516 -0.9742 H 1 UNK 0.2028 26 H1 -1.5295 -1.4370 1.7859 H 1 UNK 0.0470 27 H2 0.1821 -1.0434 1.7905 H 1 UNK 0.0470 28 H3 0.4141 -1.9089 -0.4516 H 1 UNK 0.0332 29 H4 -1.3346 -2.2691 -0.4653 H 1 UNK 0.0332 30 H5 0.6567 -3.5733 1.3341 H 1 UNK 0.0815 31 H6 -1.0651 -3.9333 1.1827 H 1 UNK 0.0815 32 H7 1.6153 -0.4664 0.3929 H 1 UNK 0.0642 33 H8 -2.9928 -1.5839 0.2144 H 1 UNK 0.0636 34 H9 0.8440 4.2458 -0.3601 H 1 UNK 0.0629 35 H10 -4.4098 2.9718 -0.5635 H 1 UNK 0.0629 36 H11 3.0981 3.3656 -0.4362 H 1 UNK 0.0623 37 H12 -5.2799 -1.1216 -0.4046 H 1 UNK 0.0618 38 H13 1.2759 -5.8185 0.7886 H 1 UNK 0.0777 39 H14 0.5821 -6.5815 -0.6219 H 1 UNK 0.0777 40 H15 -0.4236 -6.2234 0.7614 H 1 UNK 0.0777 41 H16 2.0913 -4.0145 -0.6254 H 1 UNK 0.0777 42 H17 0.9642 -3.1528 -1.6454 H 1 UNK 0.0777 43 H18 1.3831 -4.8093 -2.0110 H 1 UNK 0.0777 44 H19 -5.9990 1.1594 -0.7890 H 1 UNK 0.0618 @BOND 1 1 12 1 2 1 13 1 3 2 24 1 4 3 24 1 5 4 24 1 6 5 7 1 7 5 9 1 8 5 10 1 9 6 11 1 10 6 21 1 11 6 22 1 12 7 8 1 13 8 11 1 14 9 12 ar 15 9 14 ar 16 10 13 ar 17 10 15 ar 18 12 17 ar 19 13 18 ar 20 14 16 ar 21 15 20 ar 22 16 19 ar 23 16 24 1 24 17 19 ar 25 18 23 ar 26 20 23 ar 27 6 25 1 28 7 26 1 29 7 27 1 30 8 28 1 31 8 29 1 32 11 30 1 33 11 31 1 34 14 32 1 35 15 33 1 36 17 34 1 37 18 35 1 38 19 36 1 39 20 37 1 40 21 38 1 41 21 39 1 42 21 40 1 43 22 41 1 44 22 42 1 45 22 43 1 46 23 44 1