@MOLECULE FDBD01517 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.2837 0.2194 -0.0834 N.pl3 1 UNK -0.3143 2 N1 -3.4068 0.4826 -0.6000 N.pl3 1 UNK -0.2324 3 N2 -2.5385 2.4043 0.2557 N.2 1 UNK -0.0823 4 C -1.0133 0.9937 -1.0473 C.3 1 UNK 0.1152 5 C1 -2.3432 1.3200 -0.4510 C.cat 1 UNK 0.2984 6 C2 0.5559 0.9181 0.8971 C.3 1 UNK 0.0378 7 C3 -4.5437 1.0037 0.0970 C.3 1 UNK 0.1195 8 C4 -0.3440 -1.1853 -0.0652 C.ar 1 UNK 0.0305 9 C5 -3.9801 2.3232 0.6456 C.3 1 UNK 0.1672 10 C6 2.0019 0.9458 0.4789 C.ar 1 UNK -0.0302 11 C7 -0.8012 -1.8532 1.0734 C.ar 1 UNK -0.0406 12 C8 0.0519 -1.9194 -1.1859 C.ar 1 UNK -0.0406 13 C9 2.8467 -0.0833 0.8708 C.ar 1 UNK -0.0571 14 C10 2.4702 2.0004 -0.2924 C.ar 1 UNK -0.0571 15 C11 -0.8620 -3.2466 1.0913 C.ar 1 UNK -0.0600 16 C12 -0.0090 -3.3128 -1.1681 C.ar 1 UNK -0.0600 17 C13 4.1865 -0.0575 0.4838 C.ar 1 UNK -0.0615 18 C14 3.8100 2.0262 -0.6796 C.ar 1 UNK -0.0615 19 C15 -0.4659 -3.9764 -0.0294 C.ar 1 UNK -0.0616 20 C16 4.6682 0.9973 -0.2914 C.ar 1 UNK -0.0617 21 H -3.3956 -0.3581 -1.1121 H 1 UNK 0.2912 22 H1 -1.1452 0.4276 -1.9456 H 1 UNK 0.0588 23 H2 -0.4807 1.8892 -1.2908 H 1 UNK 0.0588 24 H3 0.4777 0.4169 1.8392 H 1 UNK 0.0513 25 H4 0.2117 1.9287 0.9684 H 1 UNK 0.0513 26 H5 -4.8523 0.3510 0.8867 H 1 UNK 0.0765 27 H6 -5.4164 1.1187 -0.5114 H 1 UNK 0.0765 28 H7 -4.5168 3.1493 0.2280 H 1 UNK 0.0829 29 H8 -4.0809 2.3577 1.7103 H 1 UNK 0.0829 30 H9 -1.0947 -1.3144 1.9032 H 1 UNK 0.0636 31 H10 0.3902 -1.4296 -2.0289 H 1 UNK 0.0636 32 H11 2.4862 -0.8619 1.4443 H 1 UNK 0.0621 33 H12 1.8320 2.7597 -0.5773 H 1 UNK 0.0621 34 H13 -1.2001 -3.7376 1.9337 H 1 UNK 0.0618 35 H14 0.2840 -3.8528 -1.9973 H 1 UNK 0.0618 36 H15 4.8213 -0.8188 0.7710 H 1 UNK 0.0618 37 H16 4.1664 2.8065 -1.2533 H 1 UNK 0.0618 38 H17 -0.5109 -5.0073 -0.0161 H 1 UNK 0.0618 39 H18 5.6595 1.0165 -0.5777 H 1 UNK 0.0618 @BOND 1 1 4 1 2 1 6 1 3 1 8 1 4 2 5 1 5 2 7 1 6 3 5 2 7 3 9 1 8 4 5 1 9 6 10 1 10 7 9 1 11 8 11 ar 12 8 12 ar 13 10 13 ar 14 10 14 ar 15 11 15 ar 16 12 16 ar 17 13 17 ar 18 14 18 ar 19 15 19 ar 20 16 19 ar 21 17 20 ar 22 18 20 ar 23 2 21 1 24 4 22 1 25 4 23 1 26 6 24 1 27 6 25 1 28 7 26 1 29 7 27 1 30 9 28 1 31 9 29 1 32 11 30 1 33 12 31 1 34 13 32 1 35 14 33 1 36 15 34 1 37 16 35 1 38 17 36 1 39 18 37 1 40 19 38 1 41 20 39 1