@MOLECULE FDBD00586 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0405 -1.2700 1.4986 O.2 1 UNK -0.2694 2 O1 3.2835 -4.3943 1.6874 O.co2 1 UNK -0.5479 3 O2 4.4434 -2.4665 1.3209 O.co2 1 UNK -0.5479 4 O3 -1.1130 0.7266 -2.9098 O.co2 1 UNK -0.5442 5 O4 -0.7351 2.5733 -1.6506 O.co2 1 UNK -0.5442 6 N 2.4299 -1.6271 -0.3177 N.am 1 UNK -0.2887 7 N1 0.0425 0.9262 0.4172 N.4 1 UNK 0.2421 8 N2 3.9606 6.2530 1.1692 N.4 1 UNK 0.2185 9 C 2.5960 -3.0612 -0.1209 C.3 1 UNK 0.0656 10 C1 3.1847 -3.5665 -1.4331 C.3 1 UNK -0.0276 11 C2 3.1085 -1.1798 -1.5314 C.3 1 UNK 0.0156 12 C3 3.9630 -2.3632 -1.9596 C.3 1 UNK -0.0351 13 C4 1.4040 0.5689 0.0305 C.3 1 UNK 0.0557 14 C5 1.5969 -0.8576 0.4795 C.2 1 UNK 0.2643 15 C6 2.4227 1.5070 0.6859 C.3 1 UNK -0.0008 16 C7 -0.9208 0.4118 -0.5451 C.3 1 UNK 0.0187 17 C8 2.2266 2.9644 0.2493 C.3 1 UNK -0.0427 18 C9 3.5479 -3.2429 1.0228 C.2 1 UNK 0.0622 19 C10 -2.3073 0.3497 0.1108 C.3 1 UNK -0.0003 20 C11 3.2146 3.9341 0.9067 C.3 1 UNK -0.0124 21 C12 -3.4178 -0.2003 -0.7981 C.3 1 UNK -0.0222 22 C13 -0.9166 1.3644 -1.7277 C.2 1 UNK 0.0894 23 C14 2.9995 5.3892 0.4916 C.3 1 UNK -0.0354 24 C15 -4.7644 -0.3334 -0.1304 C.ar 1 UNK -0.0471 25 C16 -5.1070 -1.5200 0.5180 C.ar 1 UNK -0.0586 26 C17 -5.6665 0.7301 -0.1610 C.ar 1 UNK -0.0586 27 C18 -6.3517 -1.6431 1.1355 C.ar 1 UNK -0.0615 28 C19 -6.9111 0.6069 0.4566 C.ar 1 UNK -0.0615 29 C20 -7.2537 -0.5798 1.1049 C.ar 1 UNK -0.0617 30 H -0.0372 1.9422 0.4595 H 1 UNK 0.2028 31 H1 -0.1563 0.5158 1.3296 H 1 UNK 0.2028 32 H2 3.8077 7.2205 0.8848 H 1 UNK 0.1994 33 H3 4.9079 5.9704 0.9179 H 1 UNK 0.1994 34 H4 3.8381 6.1719 2.1786 H 1 UNK 0.1994 35 H5 1.6947 -3.5893 0.1105 H 1 UNK 0.0562 36 H6 2.4110 -3.8502 -2.1156 H 1 UNK 0.0287 37 H7 3.7951 -4.4365 -1.3090 H 1 UNK 0.0287 38 H8 3.7215 -0.3268 -1.3276 H 1 UNK 0.0465 39 H9 2.4182 -0.8842 -2.2936 H 1 UNK 0.0465 40 H10 4.0563 -2.4032 -3.0248 H 1 UNK 0.0281 41 H11 4.9638 -2.3148 -1.5843 H 1 UNK 0.0281 42 H12 1.5530 0.6637 -1.0248 H 1 UNK 0.0949 43 H13 3.4080 1.1936 0.4104 H 1 UNK 0.0325 44 H14 2.2828 1.4580 1.7456 H 1 UNK 0.0325 45 H15 -0.6701 -0.5762 -0.8705 H 1 UNK 0.0915 46 H16 1.2329 3.2653 0.5079 H 1 UNK 0.0269 47 H17 2.3991 3.0043 -0.8059 H 1 UNK 0.0269 48 H18 -2.5802 1.3401 0.4101 H 1 UNK 0.0327 49 H19 -2.2244 -0.3282 0.9345 H 1 UNK 0.0327 50 H20 4.2076 3.6456 0.6318 H 1 UNK 0.0317 51 H21 3.0572 3.8792 1.9636 H 1 UNK 0.0317 52 H22 -3.1187 -1.1680 -1.1430 H 1 UNK 0.0315 53 H23 -3.5401 0.5073 -1.5914 H 1 UNK 0.0315 54 H24 3.1292 5.4778 -0.5668 H 1 UNK 0.0813 55 H25 2.0087 5.6875 0.7641 H 1 UNK 0.0813 56 H26 -4.4396 -2.3068 0.5409 H 1 UNK 0.0620 57 H27 -5.4131 1.6081 -0.6406 H 1 UNK 0.0620 58 H28 -6.6052 -2.5211 1.6150 H 1 UNK 0.0618 59 H29 -7.5785 1.3937 0.4339 H 1 UNK 0.0618 60 H30 -8.1745 -0.6709 1.5618 H 1 UNK 0.0618 @BOND 1 1 14 2 2 2 18 ar 3 3 18 ar 4 4 22 ar 5 5 22 ar 6 6 9 1 7 6 11 1 8 6 14 am 9 7 13 1 10 7 16 1 11 8 23 1 12 9 10 1 13 9 18 1 14 10 12 1 15 11 12 1 16 13 14 1 17 13 15 1 18 15 17 1 19 16 19 1 20 16 22 1 21 17 20 1 22 19 21 1 23 20 23 1 24 21 24 1 25 24 25 ar 26 24 26 ar 27 25 27 ar 28 26 28 ar 29 27 29 ar 30 28 29 ar 31 7 30 1 32 7 31 1 33 8 32 1 34 8 33 1 35 8 34 1 36 9 35 1 37 10 36 1 38 10 37 1 39 11 38 1 40 11 39 1 41 12 40 1 42 12 41 1 43 13 42 1 44 15 43 1 45 15 44 1 46 16 45 1 47 17 46 1 48 17 47 1 49 19 48 1 50 19 49 1 51 20 50 1 52 20 51 1 53 21 52 1 54 21 53 1 55 23 54 1 56 23 55 1 57 25 56 1 58 26 57 1 59 27 58 1 60 28 59 1 61 29 60 1