@MOLECULE FDBD01187 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1213 -3.0231 -0.5820 O.3 1 UNK -0.4920 2 O1 -3.8194 1.0659 -0.0408 O.2 1 UNK -0.2022 3 O2 -7.7040 2.2080 0.3892 O.co2 1 UNK -0.8283 4 O3 -3.0729 -3.9098 0.1661 O.2 1 UNK -0.2698 5 N -3.0430 -1.5639 0.0192 N.am 1 UNK -0.2741 6 N1 -3.1028 4.6245 -0.3466 N.ar 1 UNK -0.5564 7 N2 -1.8105 2.7658 -0.3999 N.ar 1 UNK -0.1463 8 N3 -1.7980 4.8715 -0.5290 N.ar 1 UNK -0.3595 9 N4 -0.9946 3.7995 -0.5668 N.ar 1 UNK -0.0876 10 C 6.0032 -0.6455 -0.1359 C.3 1 UNK -0.0460 11 C1 5.2144 -1.9528 -0.1025 C.3 1 UNK -0.0183 12 C2 7.4010 -0.8255 0.4604 C.3 1 UNK -0.0276 13 C3 3.8074 -1.7742 -0.6546 C.3 1 UNK 0.0896 14 C4 8.2010 0.4506 0.4000 C.ar 1 UNK -0.0474 15 C5 -4.7943 0.1188 0.1431 C.ar 1 UNK 0.3834 16 C6 8.9942 0.7246 -0.7143 C.ar 1 UNK -0.0586 17 C7 8.1485 1.3574 1.4585 C.ar 1 UNK -0.0586 18 C8 -4.3877 -1.2155 0.1721 C.ar 1 UNK 0.1396 19 C9 -6.1412 0.4392 0.2973 C.ar 1 UNK 0.0683 20 C10 1.7690 -2.9794 -0.4341 C.ar 1 UNK 0.1205 21 C11 -1.0031 -2.8918 -0.1346 C.ar 1 UNK 0.0373 22 C12 -5.3328 -2.2252 0.3560 C.ar 1 UNK -0.0312 23 C13 -7.0911 -0.5684 0.4815 C.ar 1 UNK -0.0465 24 C14 9.7349 1.9052 -0.7699 C.ar 1 UNK -0.0615 25 C15 8.8891 2.5382 1.4028 C.ar 1 UNK -0.0615 26 C16 -6.5405 1.8531 0.2618 C.ar 1 UNK -0.1155 27 C17 1.1081 -4.0037 0.2439 C.ar 1 UNK -0.0192 28 C18 1.0440 -1.9113 -0.9623 C.ar 1 UNK -0.0192 29 C19 -2.4804 -2.8456 0.0245 C.2 1 UNK 0.2485 30 C20 -0.2779 -3.9599 0.3936 C.ar 1 UNK -0.0462 31 C21 -0.3421 -1.8675 -0.8126 C.ar 1 UNK -0.0462 32 C22 -6.6816 -1.9020 0.5103 C.ar 1 UNK -0.0589 33 C23 -4.1855 2.4071 -0.0742 C.ar 1 UNK 0.3619 34 C24 9.6822 2.8120 0.2886 C.ar 1 UNK -0.0617 35 C25 -5.4533 2.8318 0.0625 C.ar 1 UNK 0.0308 36 C26 -3.0616 3.2918 -0.2714 C.ar 1 UNK 0.1005 37 H -2.4147 -0.8167 -0.1077 H 1 UNK 0.1554 38 H1 -1.4501 5.7870 -0.6293 H 1 UNK 0.1651 39 H2 5.4758 0.0946 0.4289 H 1 UNK 0.0269 40 H3 6.1075 -0.3394 -1.1559 H 1 UNK 0.0269 41 H4 5.1493 -2.2930 0.9099 H 1 UNK 0.0298 42 H5 5.7251 -2.6668 -0.7142 H 1 UNK 0.0298 43 H6 7.9173 -1.5848 -0.0889 H 1 UNK 0.0313 44 H7 7.2922 -1.1029 1.4881 H 1 UNK 0.0313 45 H8 3.2842 -1.0426 -0.0751 H 1 UNK 0.0696 46 H9 3.8557 -1.4453 -1.6717 H 1 UNK 0.0696 47 H10 9.0330 0.0538 -1.4976 H 1 UNK 0.0620 48 H11 7.5617 1.1548 2.2829 H 1 UNK 0.0620 49 H12 -5.0339 -3.2127 0.3780 H 1 UNK 0.0639 50 H13 -8.0883 -0.3282 0.5954 H 1 UNK 0.0626 51 H14 10.3219 2.1078 -1.5942 H 1 UNK 0.0618 52 H15 8.8502 3.2092 2.1860 H 1 UNK 0.0618 53 H16 1.6446 -4.7939 0.6347 H 1 UNK 0.0654 54 H17 1.5331 -1.1535 -1.4638 H 1 UNK 0.0654 55 H18 -0.7669 -4.7177 0.8952 H 1 UNK 0.0626 56 H19 -0.8786 -1.0773 -1.2034 H 1 UNK 0.0626 57 H20 -7.3781 -2.6514 0.6461 H 1 UNK 0.0618 58 H21 10.2301 3.6856 0.2474 H 1 UNK 0.0618 59 H22 -5.6666 3.8409 0.0282 H 1 UNK 0.0701 @BOND 1 1 13 1 2 1 20 1 3 2 15 ar 4 2 33 ar 5 3 26 0 6 4 29 2 7 5 18 1 8 5 29 am 9 6 8 ar 10 6 36 ar 11 7 9 ar 12 7 36 ar 13 8 9 ar 14 10 11 1 15 10 12 1 16 11 13 1 17 12 14 1 18 14 16 ar 19 14 17 ar 20 15 18 ar 21 15 19 ar 22 16 24 ar 23 17 25 ar 24 18 22 ar 25 19 23 ar 26 19 26 ar 27 20 27 ar 28 20 28 ar 29 21 29 1 30 21 30 ar 31 21 31 ar 32 22 32 ar 33 23 32 ar 34 24 34 ar 35 25 34 ar 36 26 35 ar 37 27 30 ar 38 28 31 ar 39 33 35 ar 40 33 36 1 41 5 37 1 42 8 38 1 43 10 39 1 44 10 40 1 45 11 41 1 46 11 42 1 47 12 43 1 48 12 44 1 49 13 45 1 50 13 46 1 51 16 47 1 52 17 48 1 53 22 49 1 54 23 50 1 55 24 51 1 56 25 52 1 57 27 53 1 58 28 54 1 59 30 55 1 60 31 56 1 61 32 57 1 62 34 58 1 63 35 59 1