@MOLECULE FDBD00671 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4677 -2.0386 -1.4039 O.2 1 UNK -0.2748 2 O1 -3.0917 -2.7753 1.0543 O.3 1 UNK -0.3939 3 N 0.4334 -1.6076 -0.1592 N.am 1 UNK -0.2969 4 N1 4.1318 1.7811 -0.2379 N.ar 1 UNK -0.2632 5 C -1.8106 -0.7579 0.6030 C.3 1 UNK 0.0838 6 C1 -0.9402 -1.5203 -0.4134 C.2 1 UNK 0.2255 7 C2 1.1317 -1.0253 0.9840 C.3 1 UNK 0.0398 8 C3 -1.9636 0.7059 0.2235 C.ar 1 UNK -0.0334 9 C4 1.2744 -2.3936 -1.0550 C.3 1 UNK 0.0122 10 C5 -3.2073 -1.3926 0.7337 C.3 1 UNK 0.0593 11 C6 2.1855 -0.0394 0.5549 C.ar 1 UNK -0.0273 12 C7 -2.1313 1.6424 1.2244 C.ar 1 UNK -0.0578 13 C8 -1.9299 1.0583 -1.1113 C.ar 1 UNK -0.0578 14 C9 1.3744 -3.8349 -0.5997 C.3 1 UNK -0.0493 15 C10 1.8909 0.8931 -0.4232 C.ar 1 UNK -0.0389 16 C11 3.4366 -0.0773 1.1434 C.ar 1 UNK -0.0389 17 C12 -2.2715 2.9859 0.8764 C.ar 1 UNK -0.0615 18 C13 -2.0700 2.4018 -1.4592 C.ar 1 UNK -0.0615 19 C14 -2.2408 3.3655 -0.4652 C.ar 1 UNK -0.0617 20 C15 2.8947 1.7779 -0.7831 C.ar 1 UNK 0.0279 21 C16 4.3712 0.8509 0.7135 C.ar 1 UNK 0.0279 22 H -3.9769 -3.1638 1.1340 H 1 UNK 0.2094 23 H1 -1.3055 -0.8216 1.5441 H 1 UNK 0.0466 24 H2 1.5988 -1.8106 1.5408 H 1 UNK 0.0514 25 H3 0.4131 -0.5039 1.5813 H 1 UNK 0.0514 26 H4 2.2552 -1.9664 -1.0752 H 1 UNK 0.0462 27 H5 0.8326 -2.3790 -2.0294 H 1 UNK 0.0462 28 H6 -3.7507 -0.8943 1.5092 H 1 UNK 0.0568 29 H7 -3.7246 -1.2924 -0.1976 H 1 UNK 0.0568 30 H8 -2.1526 1.3527 2.2147 H 1 UNK 0.0621 31 H9 -1.8030 0.3388 -1.8401 H 1 UNK 0.0621 32 H10 1.8146 -3.8713 0.3749 H 1 UNK 0.0245 33 H11 1.9832 -4.3846 -1.2868 H 1 UNK 0.0245 34 H12 0.3961 -4.2669 -0.5656 H 1 UNK 0.0245 35 H13 0.9601 0.9285 -0.8675 H 1 UNK 0.0636 36 H14 3.6650 -0.7696 1.8739 H 1 UNK 0.0636 37 H15 -2.3979 3.6989 1.6117 H 1 UNK 0.0618 38 H16 -2.0473 2.6828 -2.4519 H 1 UNK 0.0618 39 H17 -2.3445 4.3595 -0.7226 H 1 UNK 0.0618 40 H18 2.6850 2.4775 -1.5122 H 1 UNK 0.0829 41 H19 5.3079 0.8309 1.1463 H 1 UNK 0.0829 @BOND 1 1 6 2 2 2 10 1 3 3 6 am 4 3 7 1 5 3 9 1 6 4 20 ar 7 4 21 ar 8 5 6 1 9 5 8 1 10 5 10 1 11 7 11 1 12 8 12 ar 13 8 13 ar 14 9 14 1 15 11 15 ar 16 11 16 ar 17 12 17 ar 18 13 18 ar 19 15 20 ar 20 16 21 ar 21 17 19 ar 22 18 19 ar 23 2 22 1 24 5 23 1 25 7 24 1 26 7 25 1 27 9 26 1 28 9 27 1 29 10 28 1 30 10 29 1 31 12 30 1 32 13 31 1 33 14 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 16 36 1 38 17 37 1 39 18 38 1 40 19 39 1 41 20 40 1 42 21 41 1