@MOLECULE FDBD01475 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0720 -1.1978 -1.6178 O.2 1 UNK -0.2758 2 O1 0.1878 2.8332 -1.6625 O.3 1 UNK -0.4914 3 O2 1.4469 3.4844 0.7288 O.3 1 UNK -0.5033 4 N -3.0435 -0.9878 0.6980 N.am 1 UNK -0.3112 5 C -0.1532 -2.7807 -0.2617 C.3 1 UNK -0.0492 6 C1 -1.3568 -3.4137 0.4471 C.3 1 UNK -0.0445 7 C2 1.1649 -2.9637 0.4986 C.3 1 UNK -0.0347 8 C3 -2.6677 -3.1597 -0.2969 C.3 1 UNK 0.0240 9 C4 4.3193 -0.8137 -0.3766 C.3 1 UNK -0.0286 10 C5 2.3448 -2.3597 -0.2073 C.2 1 UNK -0.0877 11 C6 -2.9468 -1.6829 -0.4955 C.2 1 UNK 0.2133 12 C7 3.1301 -1.4139 0.3296 C.2 1 UNK -0.0854 13 C8 -3.3105 0.4304 0.7665 C.3 1 UNK 0.0369 14 C9 -2.0471 1.2414 0.7528 C.ar 1 UNK -0.0266 15 C10 5.5978 -1.0917 0.4134 C.3 1 UNK -0.0592 16 C11 4.1182 0.6898 -0.5630 C.3 1 UNK -0.0592 17 C12 -1.5052 1.6682 -0.4595 C.ar 1 UNK -0.0116 18 C13 -1.4152 1.5683 1.9527 C.ar 1 UNK -0.0534 19 C14 -0.3315 2.4221 -0.4721 C.ar 1 UNK 0.1616 20 C15 -0.2414 2.3217 1.9401 C.ar 1 UNK -0.0162 21 C16 0.3004 2.7488 0.7277 C.ar 1 UNK 0.1585 22 C17 -0.5191 2.4571 -2.8426 C.3 1 UNK 0.0790 23 H 1.8176 3.7754 -0.0811 H 1 UNK 0.2923 24 H1 -2.9246 -1.4836 1.5402 H 1 UNK 0.1490 25 H2 -0.3378 -1.7327 -0.3735 H 1 UNK 0.0268 26 H3 -0.0457 -3.2747 -1.2047 H 1 UNK 0.0268 27 H4 -1.4336 -2.9997 1.4308 H 1 UNK 0.0270 28 H5 -1.1985 -4.4714 0.4795 H 1 UNK 0.0270 29 H6 1.3430 -4.0114 0.6229 H 1 UNK 0.0307 30 H7 1.0633 -2.4588 1.4365 H 1 UNK 0.0307 31 H8 -3.4703 -3.5877 0.2666 H 1 UNK 0.0358 32 H9 -2.5836 -3.6074 -1.2651 H 1 UNK 0.0358 33 H10 4.4131 -1.2653 -1.3421 H 1 UNK 0.0338 34 H11 2.5640 -2.6911 -1.1597 H 1 UNK 0.0569 35 H12 2.9077 -1.0781 1.2798 H 1 UNK 0.0572 36 H13 -3.8447 0.6382 1.6700 H 1 UNK 0.0512 37 H14 -3.8862 0.7005 -0.0941 H 1 UNK 0.0512 38 H15 5.5216 -0.6466 1.3834 H 1 UNK 0.0235 39 H16 6.4355 -0.6747 -0.1055 H 1 UNK 0.0235 40 H17 5.7314 -2.1484 0.5154 H 1 UNK 0.0235 41 H18 4.0224 1.1582 0.3942 H 1 UNK 0.0235 42 H19 3.2307 0.8627 -1.1351 H 1 UNK 0.0235 43 H20 4.9607 1.1011 -1.0786 H 1 UNK 0.0235 44 H21 -1.9726 1.4262 -1.3472 H 1 UNK 0.0658 45 H22 -1.8162 1.2527 2.8497 H 1 UNK 0.0622 46 H23 0.2263 2.5632 2.8278 H 1 UNK 0.0655 47 H24 -0.0090 2.8406 -3.7014 H 1 UNK 0.0660 48 H25 -1.5103 2.8585 -2.8078 H 1 UNK 0.0660 49 H26 -0.5684 1.3900 -2.9040 H 1 UNK 0.0660 @BOND 1 1 11 2 2 2 19 1 3 2 22 1 4 3 21 1 5 4 11 am 6 4 13 1 7 5 6 1 8 5 7 1 9 6 8 1 10 7 10 1 11 8 11 1 12 9 12 1 13 9 15 1 14 9 16 1 15 10 12 2 16 13 14 1 17 14 17 ar 18 14 18 ar 19 17 19 ar 20 18 20 ar 21 19 21 ar 22 20 21 ar 23 3 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 7 29 1 30 7 30 1 31 8 31 1 32 8 32 1 33 9 33 1 34 10 34 1 35 12 35 1 36 13 36 1 37 13 37 1 38 15 38 1 39 15 39 1 40 15 40 1 41 16 41 1 42 16 42 1 43 16 43 1 44 17 44 1 45 18 45 1 46 20 46 1 47 22 47 1 48 22 48 1 49 22 49 1