@MOLECULE FDBD00667 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.0371 -1.3829 0.3744 O.3 1 UNK -0.3693 2 N 4.6786 0.0234 -0.3747 N.4 1 UNK 0.2396 3 N1 1.1792 1.2363 0.0300 N.pl3 1 UNK -0.3224 4 N2 -0.5081 -0.4101 -0.2506 N.ar 1 UNK -0.1335 5 N3 -1.8171 -0.7789 -0.2608 N.ar 1 UNK -0.1475 6 C 4.6434 -1.0653 0.6117 C.3 1 UNK -0.0078 7 C1 5.9917 0.6828 -0.3502 C.3 1 UNK -0.0078 8 C2 3.6093 0.9870 -0.1224 C.3 1 UNK -0.0159 9 C3 5.7754 -2.0509 0.3361 C.3 1 UNK 0.0878 10 C4 7.0913 -0.3443 -0.6040 C.3 1 UNK 0.0878 11 C5 2.2576 0.2954 -0.2458 C.3 1 UNK 0.0506 12 C6 -0.1526 0.8816 0.0243 C.ar 1 UNK 0.1443 13 C7 -1.1336 1.8395 0.2985 C.ar 1 UNK -0.0069 14 C8 -2.4655 1.4644 0.2881 C.ar 1 UNK -0.0277 15 C9 -2.7634 0.1467 0.0039 C.ar 1 UNK 0.0937 16 C10 -0.7680 3.2528 0.6006 C.3 1 UNK -0.0363 17 C11 -4.1232 -0.3318 -0.0283 C.ar 1 UNK 0.0021 18 C12 -5.1622 0.5283 -0.3934 C.ar 1 UNK -0.0525 19 C13 -4.4091 -1.6583 0.3052 C.ar 1 UNK -0.0525 20 C14 -6.4777 0.0653 -0.4249 C.ar 1 UNK -0.0611 21 C15 -5.7245 -2.1214 0.2737 C.ar 1 UNK -0.0611 22 C16 -6.7587 -1.2596 -0.0912 C.ar 1 UNK -0.0617 23 H 4.5299 -0.3727 -1.3028 H 1 UNK 0.2036 24 H1 1.4136 2.1713 0.2302 H 1 UNK 0.1477 25 H2 3.7049 -1.5748 0.5447 H 1 UNK 0.0837 26 H3 4.7629 -0.6562 1.5931 H 1 UNK 0.0837 27 H4 6.1435 1.1364 0.6069 H 1 UNK 0.0837 28 H5 6.0250 1.4317 -1.1137 H 1 UNK 0.0837 29 H6 3.6695 1.7809 -0.8373 H 1 UNK 0.0830 30 H7 3.7157 1.3849 0.8651 H 1 UNK 0.0830 31 H8 5.7613 -2.8208 1.0791 H 1 UNK 0.0613 32 H9 5.6368 -2.4758 -0.6361 H 1 UNK 0.0613 33 H10 6.9592 -0.7692 -1.5771 H 1 UNK 0.0613 34 H11 8.0422 0.1423 -0.5416 H 1 UNK 0.0613 35 H12 2.1465 -0.0872 -1.2389 H 1 UNK 0.0514 36 H13 2.2106 -0.5045 0.4634 H 1 UNK 0.0514 37 H14 -3.2126 2.1481 0.4865 H 1 UNK 0.0643 38 H15 0.2959 3.3613 0.5653 H 1 UNK 0.0279 39 H16 -1.1207 3.5115 1.5771 H 1 UNK 0.0279 40 H17 -1.2168 3.8999 -0.1238 H 1 UNK 0.0279 41 H18 -4.9557 1.5088 -0.6404 H 1 UNK 0.0624 42 H19 -3.6450 -2.2971 0.5755 H 1 UNK 0.0624 43 H20 -7.2429 0.7029 -0.6950 H 1 UNK 0.0618 44 H21 -5.9325 -3.1017 0.5204 H 1 UNK 0.0618 45 H22 -7.7319 -1.6022 -0.1143 H 1 UNK 0.0618 @BOND 1 1 9 1 2 1 10 1 3 2 6 1 4 2 7 1 5 2 8 1 6 3 11 1 7 3 12 1 8 4 5 ar 9 4 12 ar 10 5 15 ar 11 6 9 1 12 7 10 1 13 8 11 1 14 12 13 ar 15 13 14 ar 16 13 16 1 17 14 15 ar 18 15 17 1 19 17 18 ar 20 17 19 ar 21 18 20 ar 22 19 21 ar 23 20 22 ar 24 21 22 ar 25 2 23 1 26 3 24 1 27 6 25 1 28 6 26 1 29 7 27 1 30 7 28 1 31 8 29 1 32 8 30 1 33 9 31 1 34 9 32 1 35 10 33 1 36 10 34 1 37 11 35 1 38 11 36 1 39 14 37 1 40 16 38 1 41 16 39 1 42 16 40 1 43 18 41 1 44 19 42 1 45 20 43 1 46 21 44 1 47 22 45 1