@MOLECULE FDBD00556 70 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6705 -3.8856 -1.0048 O.2 1 UNK -0.2694 2 O1 3.7575 -4.3407 -0.5504 O.co2 1 UNK -0.5479 3 O2 5.6744 1.9966 -0.4377 O.3 1 UNK -0.4914 4 O3 4.0370 2.6095 1.7220 O.3 1 UNK -0.4914 5 O4 2.4514 -3.8182 1.2432 O.co2 1 UNK -0.5479 6 O5 -5.6036 -0.1222 0.5184 O.3 1 UNK -0.4610 7 O6 -5.0192 -1.5199 -1.2190 O.2 1 UNK -0.2444 8 N 0.8279 -2.2866 -0.2085 N.am 1 UNK -0.2840 9 N1 -2.5706 -1.9419 -0.1692 N.4 1 UNK 0.2457 10 C 1.9609 -2.8703 -0.9296 C.3 1 UNK 0.0699 11 C1 2.8352 -1.8174 -1.6037 C.3 1 UNK -0.0033 12 C2 1.0982 -1.1573 0.6966 C.3 1 UNK 0.0409 13 C3 3.1591 -0.6567 -0.7036 C.ar 1 UNK -0.0369 14 C4 2.3218 -0.3401 0.3758 C.ar 1 UNK -0.0232 15 C5 -1.4825 -2.4140 0.6689 C.3 1 UNK 0.0531 16 C6 -0.4127 -2.9379 -0.2586 C.2 1 UNK 0.2643 17 C7 -3.4205 -1.0024 0.5527 C.3 1 UNK 0.0770 18 C8 4.2784 0.1440 -0.9730 C.ar 1 UNK -0.0127 19 C9 2.7213 -3.7117 0.0562 C.2 1 UNK 0.0625 20 C10 2.6343 0.7618 1.1863 C.ar 1 UNK -0.0114 21 C11 -2.7934 0.3997 0.6149 C.3 1 UNK 0.0048 22 C12 -1.9469 -3.5177 1.5967 C.3 1 UNK -0.0129 23 C13 4.5780 1.2372 -0.1612 C.ar 1 UNK 0.1618 24 C14 3.7573 1.5448 0.9199 C.ar 1 UNK 0.1618 25 C15 -2.5536 1.0712 -0.7447 C.3 1 UNK -0.0220 26 C16 -4.7514 -0.9345 -0.1777 C.2 1 UNK 0.3560 27 C17 -1.9951 2.4681 -0.6428 C.ar 1 UNK -0.0471 28 C18 -2.8590 3.5612 -0.5724 C.ar 1 UNK -0.0586 29 C19 -0.6147 2.6675 -0.6185 C.ar 1 UNK -0.0586 30 C20 5.4907 3.1044 -1.3172 C.3 1 UNK 0.0790 31 C21 3.1454 2.8552 2.8079 C.3 1 UNK 0.0790 32 C22 -6.9089 0.0331 -0.0474 C.3 1 UNK 0.0899 33 C23 -2.3425 4.8535 -0.4779 C.ar 1 UNK -0.0615 34 C24 -0.0983 3.9599 -0.5239 C.ar 1 UNK -0.0615 35 C25 -0.9624 5.0528 -0.4537 C.ar 1 UNK -0.0617 36 C26 -7.7228 0.9547 0.8358 C.3 1 UNK -0.0306 37 H -3.1329 -2.7396 -0.4656 H 1 UNK 0.2030 38 H1 -2.1726 -1.4634 -0.9773 H 1 UNK 0.2030 39 H2 1.6110 -3.4762 -1.7392 H 1 UNK 0.0565 40 H3 2.3196 -1.4471 -2.4651 H 1 UNK 0.0335 41 H4 3.7603 -2.2886 -1.8629 H 1 UNK 0.0335 42 H5 1.2150 -1.5494 1.6853 H 1 UNK 0.0514 43 H6 0.2672 -0.4920 0.5882 H 1 UNK 0.0514 44 H7 -1.1145 -1.6184 1.2826 H 1 UNK 0.0947 45 H8 -3.5445 -1.3392 1.5607 H 1 UNK 0.0969 46 H9 4.8848 -0.0776 -1.7781 H 1 UNK 0.0658 47 H10 2.0272 0.9952 1.9875 H 1 UNK 0.0659 48 H11 -1.8507 0.3185 1.1145 H 1 UNK 0.0329 49 H12 -3.4992 1.0173 1.1299 H 1 UNK 0.0329 50 H13 -2.3236 -4.3351 1.0181 H 1 UNK 0.0289 51 H14 -2.7212 -3.1453 2.2344 H 1 UNK 0.0289 52 H15 -1.1239 -3.8523 2.1930 H 1 UNK 0.0289 53 H16 -3.4862 1.1179 -1.2672 H 1 UNK 0.0315 54 H17 -1.8250 0.4808 -1.2600 H 1 UNK 0.0315 55 H18 -3.8803 3.4137 -0.5902 H 1 UNK 0.0620 56 H19 0.0245 1.8589 -0.6705 H 1 UNK 0.0620 57 H20 6.4227 3.6130 -1.4496 H 1 UNK 0.0660 58 H21 4.7732 3.7781 -0.8973 H 1 UNK 0.0660 59 H22 5.1383 2.7531 -2.2645 H 1 UNK 0.0660 60 H23 3.4769 3.7133 3.3544 H 1 UNK 0.0660 61 H24 3.1295 2.0039 3.4559 H 1 UNK 0.0660 62 H25 2.1610 3.0327 2.4280 H 1 UNK 0.0660 63 H26 -7.3890 -0.9212 -0.1089 H 1 UNK 0.0694 64 H27 -6.8298 0.4505 -1.0294 H 1 UNK 0.0694 65 H28 -2.9816 5.6621 -0.4259 H 1 UNK 0.0618 66 H29 0.9229 4.1075 -0.5058 H 1 UNK 0.0618 67 H30 -0.5803 6.0089 -0.3838 H 1 UNK 0.0618 68 H31 -7.7992 0.5334 1.8164 H 1 UNK 0.0262 69 H32 -8.7021 1.0731 0.4212 H 1 UNK 0.0262 70 H33 -7.2424 1.9090 0.8941 H 1 UNK 0.0262 @BOND 1 1 16 2 2 2 19 ar 3 3 23 1 4 3 30 1 5 4 24 1 6 4 31 1 7 5 19 ar 8 6 26 1 9 6 32 1 10 7 26 2 11 8 10 1 12 8 12 1 13 8 16 am 14 9 15 1 15 9 17 1 16 10 11 1 17 10 19 1 18 11 13 1 19 12 14 1 20 13 14 ar 21 13 18 ar 22 14 20 ar 23 15 16 1 24 15 22 1 25 17 21 1 26 17 26 1 27 18 23 ar 28 20 24 ar 29 21 25 1 30 23 24 ar 31 25 27 1 32 27 28 ar 33 27 29 ar 34 28 33 ar 35 29 34 ar 36 32 36 1 37 33 35 ar 38 34 35 ar 39 9 37 1 40 9 38 1 41 10 39 1 42 11 40 1 43 11 41 1 44 12 42 1 45 12 43 1 46 15 44 1 47 17 45 1 48 18 46 1 49 20 47 1 50 21 48 1 51 21 49 1 52 22 50 1 53 22 51 1 54 22 52 1 55 25 53 1 56 25 54 1 57 28 55 1 58 29 56 1 59 30 57 1 60 30 58 1 61 30 59 1 62 31 60 1 63 31 61 1 64 31 62 1 65 32 63 1 66 32 64 1 67 33 65 1 68 34 66 1 69 35 67 1 70 36 68 1 71 36 69 1 72 36 70 1