@MOLECULE FDBD01075 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1482 -0.3200 1.9585 O.3 1 UNK -0.3793 2 N -3.6813 -0.9188 0.1978 N.4 1 UNK 0.2352 3 C -3.8867 0.4627 -0.2597 C.3 1 UNK -0.0319 4 C1 -4.7500 -1.8034 -0.2872 C.3 1 UNK -0.0319 5 C2 -2.3737 -1.4115 -0.2341 C.3 1 UNK -0.0318 6 C3 -5.2296 1.0106 0.2254 C.3 1 UNK -0.0123 7 C4 -6.1212 -1.3296 0.1972 C.3 1 UNK -0.0123 8 C5 -6.3842 0.1155 -0.2106 C.3 1 UNK -0.0434 9 C6 -1.2579 -0.5589 0.3718 C.3 1 UNK -0.0093 10 C7 0.1265 -1.0794 -0.0570 C.3 1 UNK -0.0108 11 C8 1.3257 -0.2731 0.5297 C.3 1 UNK 0.1160 12 C9 1.3350 1.2144 0.1409 C.ar 1 UNK -0.0117 13 C10 2.6585 -0.9290 0.1409 C.ar 1 UNK -0.0117 14 C11 0.8849 1.5646 -1.1076 C.ar 1 UNK -0.0555 15 C12 3.6802 -0.9279 1.0589 C.ar 1 UNK -0.0555 16 C13 1.7933 2.1249 1.0599 C.ar 1 UNK -0.0555 17 C14 2.7713 -1.4884 -1.1084 C.ar 1 UNK -0.0555 18 C15 0.8933 2.9143 -1.4601 C.ar 1 UNK -0.0614 19 C16 4.8909 -1.5240 0.7054 C.ar 1 UNK -0.0614 20 C17 1.8019 3.4744 0.7074 C.ar 1 UNK -0.0614 21 C18 3.9819 -2.0843 -1.4618 C.ar 1 UNK -0.0614 22 C19 1.3516 3.8694 -0.5526 C.ar 1 UNK -0.0617 23 C20 5.0418 -2.1026 -0.5548 C.ar 1 UNK -0.0617 24 H 0.3042 0.0965 2.1933 H 1 UNK 0.2111 25 H1 -3.7108 -0.9201 1.2174 H 1 UNK 0.2033 26 H2 -3.8671 0.4830 -1.3293 H 1 UNK 0.0814 27 H3 -3.1057 1.0732 0.1429 H 1 UNK 0.0814 28 H4 -4.5747 -2.7945 0.0760 H 1 UNK 0.0814 29 H5 -4.7441 -1.7876 -1.3571 H 1 UNK 0.0814 30 H6 -2.3138 -1.3644 -1.3014 H 1 UNK 0.0814 31 H7 -2.2568 -2.4227 0.0956 H 1 UNK 0.0814 32 H8 -5.3743 1.9893 -0.1823 H 1 UNK 0.0317 33 H9 -5.2139 1.0440 1.2948 H 1 UNK 0.0317 34 H10 -6.1583 -1.4029 1.2640 H 1 UNK 0.0317 35 H11 -6.8700 -1.9485 -0.2513 H 1 UNK 0.0317 36 H12 -6.4885 0.1680 -1.2742 H 1 UNK 0.0269 37 H13 -7.2820 0.4518 0.2646 H 1 UNK 0.0269 38 H14 -1.3303 -0.5942 1.4388 H 1 UNK 0.0318 39 H15 -1.3681 0.4465 0.0225 H 1 UNK 0.0318 40 H16 0.1845 -1.0369 -1.1246 H 1 UNK 0.0301 41 H17 0.2110 -2.0753 0.3249 H 1 UNK 0.0301 42 H18 0.5487 0.8473 -1.7690 H 1 UNK 0.0621 43 H19 3.5552 -0.4964 1.9880 H 1 UNK 0.0621 44 H20 2.1233 1.8187 1.9885 H 1 UNK 0.0621 45 H21 1.9793 -1.4683 -1.7698 H 1 UNK 0.0621 46 H22 0.5604 3.2062 -2.3923 H 1 UNK 0.0618 47 H23 5.6750 -1.5369 1.3763 H 1 UNK 0.0618 48 H24 2.1414 4.1808 1.3788 H 1 UNK 0.0618 49 H25 4.0936 -2.5118 -2.3944 H 1 UNK 0.0618 50 H26 1.3576 4.8679 -0.8132 H 1 UNK 0.0618 51 H27 5.9372 -2.5441 -0.8162 H 1 UNK 0.0618 @BOND 1 1 11 1 2 2 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 4 7 1 7 5 9 1 8 6 8 1 9 7 8 1 10 9 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 12 14 ar 15 12 16 ar 16 13 15 ar 17 13 17 ar 18 14 18 ar 19 15 19 ar 20 16 20 ar 21 17 21 ar 22 18 22 ar 23 19 23 ar 24 20 22 ar 25 21 23 ar 26 1 24 1 27 2 25 1 28 3 26 1 29 3 27 1 30 4 28 1 31 4 29 1 32 5 30 1 33 5 31 1 34 6 32 1 35 6 33 1 36 7 34 1 37 7 35 1 38 8 36 1 39 8 37 1 40 9 38 1 41 9 39 1 42 10 40 1 43 10 41 1 44 14 42 1 45 15 43 1 46 16 44 1 47 17 45 1 48 18 46 1 49 19 47 1 50 20 48 1 51 21 49 1 52 22 50 1 53 23 51 1