@MOLECULE FDBD00484 70 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8276 0.2486 -1.0418 O.2 1 UNK -0.2699 2 N 6.4576 0.2661 -0.6555 N.4 1 UNK 0.2460 3 N1 8.5148 -0.1616 1.3305 N.4 1 UNK 0.2405 4 N2 -0.1066 -1.8326 -0.2329 N.am 1 UNK -0.2814 5 N3 -4.9447 -1.8876 -0.2704 N.pl3 1 UNK -0.2833 6 N4 -4.3746 0.3576 0.1045 N.ar 1 UNK -0.2142 7 N5 -6.6079 -0.2578 -0.5599 N.ar 1 UNK -0.2226 8 N6 -2.8521 4.8337 0.2988 N.ar 1 UNK -0.2626 9 C 6.1553 0.3240 0.7799 C.3 1 UNK 0.0098 10 C1 7.8492 0.6633 -0.9021 C.3 1 UNK 0.0098 11 C2 7.1228 -0.5578 1.5768 C.3 1 UNK 0.0092 12 C3 8.8175 -0.2175 -0.1048 C.3 1 UNK 0.0092 13 C4 5.5353 1.1080 -1.4148 C.3 1 UNK -0.0055 14 C5 9.4364 -1.0051 2.0887 C.3 1 UNK -0.0427 15 C6 4.1042 0.6761 -1.2347 C.ar 1 UNK -0.0029 16 C7 3.7827 -0.6720 -1.3051 C.ar 1 UNK -0.0528 17 C8 3.1263 1.6331 -1.0017 C.ar 1 UNK -0.0528 18 C9 2.4565 -1.0715 -1.1393 C.ar 1 UNK -0.0492 19 C10 1.8002 1.2338 -0.8357 C.ar 1 UNK -0.0492 20 C11 1.4653 -0.1185 -0.9046 C.ar 1 UNK 0.0370 21 C12 0.0830 -0.5355 -0.7298 C.2 1 UNK 0.2483 22 C13 -1.3242 -2.5126 0.0151 C.ar 1 UNK 0.0354 23 C14 -3.7215 -2.5414 -0.0031 C.ar 1 UNK 0.0383 24 C15 -2.5228 -1.8710 -0.2463 C.ar 1 UNK -0.0190 25 C16 -3.7034 -3.8430 0.4979 C.ar 1 UNK -0.0291 26 C17 -1.2879 -3.8040 0.5124 C.ar 1 UNK -0.0401 27 C18 -2.4866 -4.4744 0.7558 C.ar 1 UNK -0.0553 28 C19 -4.9723 -4.5838 0.7689 C.3 1 UNK -0.0380 29 C20 -5.3266 -0.5337 -0.2407 C.ar 1 UNK 0.2200 30 C21 -4.7751 1.6458 0.1230 C.ar 1 UNK 0.0775 31 C22 -3.7560 2.5992 0.4912 C.ar 1 UNK 0.0186 32 C23 -6.0569 2.0547 -0.1837 C.ar 1 UNK -0.0174 33 C24 -6.9398 1.0495 -0.5211 C.ar 1 UNK 0.0332 34 C25 -2.7243 2.2490 1.3556 C.ar 1 UNK -0.0497 35 C26 -3.7742 3.8929 -0.0052 C.ar 1 UNK 0.0367 36 C27 -1.7569 3.1894 1.6923 C.ar 1 UNK -0.0430 37 C28 -1.8648 4.4564 1.1418 C.ar 1 UNK 0.0276 38 H 6.3371 -0.6964 -0.9708 H 1 UNK 0.2041 39 H1 8.6358 0.8005 1.6470 H 1 UNK 0.2035 40 H2 0.7141 -2.3370 -0.0297 H 1 UNK 0.1551 41 H3 -5.6724 -2.4987 -0.5278 H 1 UNK 0.1550 42 H4 5.1546 -0.0185 0.9416 H 1 UNK 0.0868 43 H5 6.2614 1.3357 1.1118 H 1 UNK 0.0868 44 H6 7.9800 1.6836 -0.6076 H 1 UNK 0.0868 45 H7 8.0591 0.5461 -1.9447 H 1 UNK 0.0868 46 H8 6.9094 -0.4580 2.6205 H 1 UNK 0.0868 47 H9 6.9958 -1.5736 1.2654 H 1 UNK 0.0868 48 H10 8.7299 -1.2291 -0.4423 H 1 UNK 0.0868 49 H11 9.8133 0.1426 -0.2587 H 1 UNK 0.0868 50 H12 5.7869 1.0479 -2.4531 H 1 UNK 0.0867 51 H13 5.6273 2.1109 -1.0534 H 1 UNK 0.0867 52 H14 9.3291 -2.0224 1.7749 H 1 UNK 0.0778 53 H15 9.2135 -0.9284 3.1324 H 1 UNK 0.0778 54 H16 10.4414 -0.6821 1.9140 H 1 UNK 0.0778 55 H17 4.5192 -1.3737 -1.4788 H 1 UNK 0.0622 56 H18 3.3784 2.6326 -0.9517 H 1 UNK 0.0622 57 H19 2.2087 -2.0720 -1.1903 H 1 UNK 0.0625 58 H20 1.0669 1.9388 -0.6619 H 1 UNK 0.0625 59 H21 -2.5293 -0.9078 -0.6168 H 1 UNK 0.0655 60 H22 -0.3843 -4.2655 0.7009 H 1 UNK 0.0636 61 H23 -2.4733 -5.4374 1.1266 H 1 UNK 0.0621 62 H24 -5.8077 -3.9634 0.5197 H 1 UNK 0.0278 63 H25 -5.0185 -4.8448 1.8056 H 1 UNK 0.0278 64 H26 -4.9994 -5.4738 0.1755 H 1 UNK 0.0278 65 H27 -6.3369 3.0477 -0.1621 H 1 UNK 0.0654 66 H28 -7.9094 1.3125 -0.7573 H 1 UNK 0.0831 67 H29 -2.6769 1.2947 1.7457 H 1 UNK 0.0625 68 H30 -4.5391 4.1544 -0.6467 H 1 UNK 0.0836 69 H31 -0.9829 2.9512 2.3320 H 1 UNK 0.0633 70 H32 -1.1473 5.1551 1.3906 H 1 UNK 0.0829 @BOND 1 1 21 2 2 2 9 1 3 2 10 1 4 2 13 1 5 3 11 1 6 3 12 1 7 3 14 1 8 4 21 am 9 4 22 1 10 5 23 1 11 5 29 1 12 6 29 ar 13 6 30 ar 14 7 29 ar 15 7 33 ar 16 8 35 ar 17 8 37 ar 18 9 11 1 19 10 12 1 20 13 15 1 21 15 16 ar 22 15 17 ar 23 16 18 ar 24 17 19 ar 25 18 20 ar 26 19 20 ar 27 20 21 1 28 22 24 ar 29 22 26 ar 30 23 24 ar 31 23 25 ar 32 25 27 ar 33 25 28 1 34 26 27 ar 35 30 31 1 36 30 32 ar 37 31 34 ar 38 31 35 ar 39 32 33 ar 40 34 36 ar 41 36 37 ar 42 2 38 1 43 3 39 1 44 4 40 1 45 5 41 1 46 9 42 1 47 9 43 1 48 10 44 1 49 10 45 1 50 11 46 1 51 11 47 1 52 12 48 1 53 12 49 1 54 13 50 1 55 13 51 1 56 14 52 1 57 14 53 1 58 14 54 1 59 16 55 1 60 17 56 1 61 18 57 1 62 19 58 1 63 24 59 1 64 26 60 1 65 27 61 1 66 28 62 1 67 28 63 1 68 28 64 1 69 32 65 1 70 33 66 1 71 34 67 1 72 35 68 1 73 36 69 1 74 37 70 1