@MOLECULE FDBD01162 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9146 1.2742 1.7974 O.3 1 UNK -0.3815 2 O1 4.0172 2.0624 -0.1118 O.3 1 UNK -0.5014 3 O2 4.0141 -2.8628 -0.5794 O.2 1 UNK -0.2148 4 N -3.5496 -0.0427 -0.1764 N.4 1 UNK 0.2330 5 N1 3.4010 -0.6682 -0.2476 N.am 1 UNK -0.1414 6 C -2.1892 0.4167 -0.4864 C.3 1 UNK 0.0081 7 C1 -1.3175 0.4267 0.8053 C.3 1 UNK 0.1232 8 C2 -2.2590 1.7920 -1.1804 C.3 1 UNK -0.0098 9 C3 0.1061 0.8092 0.5539 C.ar 1 UNK -0.0002 10 C4 -3.5126 -1.3430 0.4693 C.3 1 UNK -0.0281 11 C5 1.0927 -0.1382 0.2661 C.ar 1 UNK 0.0555 12 C6 -3.1223 1.7868 -2.4376 C.3 1 UNK -0.0601 13 C7 0.4366 2.1646 0.6153 C.ar 1 UNK -0.0515 14 C8 2.4079 0.2850 0.0418 C.ar 1 UNK 0.2516 15 C9 -2.8569 -2.3711 -0.4485 C.3 1 UNK -0.0219 16 C10 -4.9303 -1.7657 0.8413 C.3 1 UNK -0.0219 17 C11 2.7404 1.6395 0.1029 C.ar 1 UNK 0.1888 18 C12 0.7869 -1.5648 0.1931 C.2 1 UNK -0.0382 19 C13 1.7503 2.5785 0.3902 C.ar 1 UNK -0.0132 20 C14 1.7472 -2.4545 -0.0834 C.2 1 UNK 0.0535 21 C15 3.1517 -2.0246 -0.3252 C.2 1 UNK 0.4070 22 H -2.8354 1.0050 1.9408 H 1 UNK 0.2105 23 H1 4.6905 1.4402 -0.3056 H 1 UNK 0.2924 24 H2 -4.0856 -0.1126 -1.0414 H 1 UNK 0.2020 25 H3 -3.9880 0.6271 0.4557 H 1 UNK 0.2020 26 H4 4.3205 -0.3525 -0.4027 H 1 UNK 0.4476 27 H5 -1.7140 -0.2587 -1.1668 H 1 UNK 0.0880 28 H6 -1.2894 -0.5785 1.1710 H 1 UNK 0.0701 29 H7 -1.2667 2.0875 -1.4504 H 1 UNK 0.0318 30 H8 -2.7074 2.4748 -0.4893 H 1 UNK 0.0318 31 H9 -2.9274 -1.2813 1.3630 H 1 UNK 0.0845 32 H10 -2.7035 1.1124 -3.1550 H 1 UNK 0.0232 33 H11 -3.1552 2.7729 -2.8517 H 1 UNK 0.0232 34 H12 -4.1139 1.4715 -2.1881 H 1 UNK 0.0232 35 H13 -0.2932 2.8627 0.8279 H 1 UNK 0.0622 36 H14 -3.4226 -2.4539 -1.3530 H 1 UNK 0.0284 37 H15 -2.8287 -3.3212 0.0428 H 1 UNK 0.0284 38 H16 -1.8597 -2.0590 -0.6788 H 1 UNK 0.0284 39 H17 -5.5269 -1.8313 -0.0445 H 1 UNK 0.0284 40 H18 -5.3556 -1.0422 1.5050 H 1 UNK 0.0284 41 H19 -4.9028 -2.7201 1.3243 H 1 UNK 0.0284 42 H20 -0.1790 -1.8895 0.3563 H 1 UNK 0.0629 43 H21 1.9894 3.5813 0.4365 H 1 UNK 0.0656 44 H22 1.5097 -3.4577 -0.1299 H 1 UNK 0.0720 @BOND 1 1 7 1 2 2 17 1 3 3 21 2 4 4 6 1 5 4 10 1 6 5 14 1 7 5 21 am 8 6 7 1 9 6 8 1 10 7 9 1 11 8 12 1 12 9 11 ar 13 9 13 ar 14 10 15 1 15 10 16 1 16 11 14 ar 17 11 18 1 18 13 19 ar 19 14 17 ar 20 17 19 ar 21 18 20 2 22 20 21 1 23 1 22 1 24 2 23 1 25 4 24 1 26 4 25 1 27 5 26 1 28 6 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 10 31 1 33 12 32 1 34 12 33 1 35 12 34 1 36 13 35 1 37 15 36 1 38 15 37 1 39 15 38 1 40 16 39 1 41 16 40 1 42 16 41 1 43 18 42 1 44 19 43 1 45 20 44 1