@MOLECULE FDBD00333 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.1325 -0.0619 -0.3888 N.pl3 1 UNK -0.2994 2 N1 4.1861 -0.5873 0.1367 N.4 1 UNK 0.2309 3 C 1.2487 -0.4584 -0.7068 C.3 1 UNK 0.0221 4 C1 -1.1039 -1.0939 -0.2694 C.ar 1 UNK 0.0372 5 C2 -0.3398 1.3418 -0.3868 C.ar 1 UNK 0.0372 6 C3 -2.7993 0.2743 1.1690 C.3 1 UNK -0.0219 7 C4 -1.7043 1.1694 1.7256 C.3 1 UNK -0.0219 8 C5 -2.3403 -0.9504 0.4063 C.ar 1 UNK -0.0257 9 C6 -1.0916 1.9752 0.6167 C.ar 1 UNK -0.0257 10 C7 1.8347 -1.3205 0.4108 C.3 1 UNK 0.0036 11 C8 3.2928 -1.7379 0.1962 C.3 1 UNK -0.0309 12 C9 -0.8693 -2.3461 -0.8985 C.ar 1 UNK -0.0401 13 C10 0.2181 2.1531 -1.3988 C.ar 1 UNK -0.0401 14 C11 -3.2733 -2.0173 0.3972 C.ar 1 UNK -0.0568 15 C12 -1.2686 3.3703 0.5982 C.ar 1 UNK -0.0568 16 C13 -1.7941 -3.3932 -0.8780 C.ar 1 UNK -0.0600 17 C14 0.0366 3.5373 -1.4122 C.ar 1 UNK -0.0600 18 C15 -3.0035 -3.2266 -0.2317 C.ar 1 UNK -0.0614 19 C16 -0.7072 4.1467 -0.4114 C.ar 1 UNK -0.0614 20 C17 5.5772 -1.0213 -0.0048 C.3 1 UNK -0.0433 21 C18 4.0336 0.2463 1.3305 C.3 1 UNK -0.0433 22 H 3.9350 -0.0316 -0.6809 H 1 UNK 0.2028 23 H1 1.8482 0.4202 -0.8236 H 1 UNK 0.0470 24 H2 1.2430 -1.0275 -1.6129 H 1 UNK 0.0470 25 H3 -3.3986 0.8647 0.5078 H 1 UNK 0.0317 26 H4 -3.3234 -0.1008 2.0231 H 1 UNK 0.0317 27 H5 -0.9498 0.5644 2.1835 H 1 UNK 0.0317 28 H6 -2.1258 1.8323 2.4520 H 1 UNK 0.0317 29 H7 1.2423 -2.2077 0.4934 H 1 UNK 0.0332 30 H8 1.8182 -0.7208 1.2968 H 1 UNK 0.0332 31 H9 3.5947 -2.3683 1.0064 H 1 UNK 0.0815 32 H10 3.3551 -2.2539 -0.7391 H 1 UNK 0.0815 33 H11 0.0251 -2.4887 -1.3932 H 1 UNK 0.0636 34 H12 0.7742 1.7116 -2.1477 H 1 UNK 0.0636 35 H13 -4.1809 -1.8921 0.8722 H 1 UNK 0.0621 36 H14 -1.8215 3.8239 1.3423 H 1 UNK 0.0621 37 H15 -1.5745 -4.2875 -1.3438 H 1 UNK 0.0618 38 H16 0.4547 4.1063 -2.1648 H 1 UNK 0.0618 39 H17 -3.6975 -3.9902 -0.2161 H 1 UNK 0.0618 40 H18 -0.8432 5.1697 -0.4158 H 1 UNK 0.0618 41 H19 5.8566 -1.6064 0.8463 H 1 UNK 0.0777 42 H20 6.2133 -0.1636 -0.0723 H 1 UNK 0.0777 43 H21 5.6784 -1.6111 -0.8918 H 1 UNK 0.0777 44 H22 4.2936 -0.3228 2.1985 H 1 UNK 0.0777 45 H23 3.0180 0.5736 1.4096 H 1 UNK 0.0777 46 H24 4.6778 1.0974 1.2559 H 1 UNK 0.0777 @BOND 1 1 3 1 2 1 4 1 3 1 5 1 4 2 11 1 5 2 20 1 6 2 21 1 7 3 10 1 8 4 8 ar 9 4 12 ar 10 5 9 ar 11 5 13 ar 12 6 7 1 13 6 8 1 14 7 9 1 15 8 14 ar 16 9 15 ar 17 10 11 1 18 12 16 ar 19 13 17 ar 20 14 18 ar 21 15 19 ar 22 16 18 ar 23 17 19 ar 24 2 22 1 25 3 23 1 26 3 24 1 27 6 25 1 28 6 26 1 29 7 27 1 30 7 28 1 31 10 29 1 32 10 30 1 33 11 31 1 34 11 32 1 35 12 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 20 41 1 44 20 42 1 45 20 43 1 46 21 44 1 47 21 45 1 48 21 46 1