@MOLECULE FDBD00057 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8337 2.9115 -0.4575 O.3 1 UNK -0.4666 2 O1 2.1213 -0.0281 -1.6083 O.2 1 UNK -0.2696 3 O2 -0.9281 2.0358 1.4665 O.2 1 UNK -0.2487 4 O3 5.6253 0.4131 -0.4127 O.co2 1 UNK -0.5496 5 O4 4.1389 0.9708 1.2123 O.co2 1 UNK -0.5496 6 N 0.5352 0.1671 0.0723 N.am 1 UNK -0.2974 7 N1 1.9540 -2.5588 0.2571 N.4 1 UNK 0.2276 8 C -0.3657 1.0282 -0.6567 C.3 1 UNK 0.1245 9 C1 -1.3701 0.2130 -1.4846 C.3 1 UNK 0.0012 10 C2 2.4857 -1.2131 0.4761 C.3 1 UNK 0.0583 11 C3 -2.3150 -0.6407 -0.6694 C.ar 1 UNK -0.0451 12 C4 1.7229 -0.2954 -0.4765 C.2 1 UNK 0.2622 13 C5 -1.0587 2.0398 0.2466 C.2 1 UNK 0.3277 14 C6 3.9887 -1.2164 0.1958 C.3 1 UNK 0.0385 15 C7 -1.9526 -1.9395 -0.3540 C.ar 1 UNK -0.0585 16 C8 -3.5233 -0.1063 -0.2544 C.ar 1 UNK -0.0585 17 C9 -2.8240 -2.7271 0.3982 C.ar 1 UNK -0.0615 18 C10 -4.3947 -0.8940 0.4979 C.ar 1 UNK -0.0615 19 C11 4.5756 0.1586 0.4068 C.2 1 UNK 0.0476 20 C12 -4.0450 -2.2044 0.8242 C.ar 1 UNK -0.0617 21 C13 -2.5367 3.8858 0.3204 C.3 1 UNK 0.0817 22 H 0.2989 -0.1010 0.9897 H 1 UNK 0.1497 23 H1 0.9510 -2.5625 0.4428 H 1 UNK 0.2002 24 H2 2.4185 -3.2143 0.8855 H 1 UNK 0.2002 25 H3 2.1219 -2.8375 -0.7096 H 1 UNK 0.2002 26 H4 0.2288 1.5957 -1.3418 H 1 UNK 0.0618 27 H5 -0.8189 -0.4306 -2.1379 H 1 UNK 0.0337 28 H6 -1.9777 0.9223 -2.0067 H 1 UNK 0.0337 29 H7 2.3592 -0.8754 1.4835 H 1 UNK 0.0952 30 H8 4.1561 -1.5178 -0.8171 H 1 UNK 0.0385 31 H9 4.4622 -1.8990 0.8702 H 1 UNK 0.0385 32 H10 -1.0477 -2.3205 -0.6720 H 1 UNK 0.0620 33 H11 -3.7762 0.8639 -0.4990 H 1 UNK 0.0620 34 H12 -2.5654 -3.6966 0.6396 H 1 UNK 0.0618 35 H13 -5.2981 -0.5073 0.8131 H 1 UNK 0.0618 36 H14 -4.6897 -2.7871 1.3808 H 1 UNK 0.0618 37 H15 -3.1101 4.5142 -0.3286 H 1 UNK 0.0661 38 H16 -1.8344 4.4818 0.8649 H 1 UNK 0.0661 39 H17 -3.1911 3.3898 1.0064 H 1 UNK 0.0661 @BOND 1 1 13 1 2 1 21 1 3 2 12 2 4 3 13 2 5 4 19 ar 6 5 19 ar 7 6 8 1 8 6 12 am 9 7 10 1 10 8 9 1 11 8 13 1 12 9 11 1 13 10 12 1 14 10 14 1 15 11 15 ar 16 11 16 ar 17 14 19 1 18 15 17 ar 19 16 18 ar 20 17 20 ar 21 18 20 ar 22 6 22 1 23 7 23 1 24 7 24 1 25 7 25 1 26 8 26 1 27 9 27 1 28 9 28 1 29 10 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 16 33 1 34 17 34 1 35 18 35 1 36 20 36 1 37 21 37 1 38 21 38 1 39 21 39 1