@MOLECULE FDBD00201 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1307 1.1877 -0.0377 O.3 1 UNK -0.4485 2 O1 -4.1463 2.6925 -1.4593 O.2 1 UNK -0.2265 3 N -2.9432 0.9613 -0.4744 N.am 1 UNK -0.2750 4 N1 2.3437 -2.9448 -0.7814 N.4 1 UNK 0.2296 5 N2 4.0668 2.5596 0.2212 N.4 1 UNK 0.2309 6 C -3.2721 -0.1974 0.2944 C.3 1 UNK 0.0607 7 C1 -2.2437 -0.5222 1.3597 C.3 1 UNK -0.0284 8 C2 -1.0522 -1.2270 0.8010 C.3 1 UNK -0.0386 9 C3 1.1614 -1.1509 -0.1802 C.3 1 UNK 0.0101 10 C4 2.4090 -0.7269 -0.7173 C.3 1 UNK 0.0119 11 C5 -4.6300 0.1753 0.8528 C.3 1 UNK 0.1124 12 C6 1.1459 -2.5464 -0.2319 C.3 1 UNK -0.0193 13 C7 0.0402 -0.4794 0.3464 C.3 1 UNK -0.0418 14 C8 2.8736 0.6668 -0.8675 C.3 1 UNK -0.0044 15 C9 -1.0399 -2.6190 0.7371 C.3 1 UNK -0.0450 16 C10 3.6391 1.1728 0.3702 C.3 1 UNK -0.0320 17 C11 3.1138 -1.8523 -1.0778 C.3 1 UNK -0.0299 18 C12 0.0610 -3.3069 0.2186 C.3 1 UNK -0.0092 19 C13 -4.0683 1.7147 -0.7290 C.2 1 UNK 0.4006 20 C14 4.7497 3.0203 1.4311 C.3 1 UNK -0.0433 21 C15 2.9221 3.4221 -0.0760 C.3 1 UNK -0.0433 22 H -2.0359 1.1902 -0.7806 H 1 UNK 0.1524 23 H1 2.1638 -3.4721 -1.6358 H 1 UNK 0.2016 24 H2 2.8402 -3.5299 -0.1095 H 1 UNK 0.2016 25 H3 4.7215 2.6097 -0.5594 H 1 UNK 0.2028 26 H4 -3.2851 -1.1015 -0.2778 H 1 UNK 0.0533 27 H5 -2.6991 -1.1486 2.0980 H 1 UNK 0.0287 28 H6 -1.9087 0.4014 1.7836 H 1 UNK 0.0287 29 H7 -0.2684 -1.8816 0.4814 H 1 UNK 0.0302 30 H8 0.8481 -0.1442 0.0023 H 1 UNK 0.0360 31 H9 2.7063 0.2977 -0.7991 H 1 UNK 0.0359 32 H10 -5.2802 -0.6745 0.8604 H 1 UNK 0.0717 33 H11 -4.5689 0.5219 1.8633 H 1 UNK 0.0717 34 H12 0.5832 -3.4310 -0.0183 H 1 UNK 0.0853 35 H13 0.3856 0.1043 1.1740 H 1 UNK 0.0273 36 H14 -0.3509 0.0587 -0.4917 H 1 UNK 0.0273 37 H15 2.0230 1.2964 -1.0254 H 1 UNK 0.0321 38 H16 3.5463 0.6963 -1.6991 H 1 UNK 0.0321 39 H17 -1.8834 -2.9036 0.1434 H 1 UNK 0.0270 40 H18 -1.0287 -2.9015 1.7691 H 1 UNK 0.0270 41 H19 3.0002 1.0987 1.2253 H 1 UNK 0.0814 42 H20 4.5144 0.5685 0.4864 H 1 UNK 0.0814 43 H21 3.3235 -1.8293 -2.1268 H 1 UNK 0.0817 44 H22 4.0422 -1.8961 -0.5476 H 1 UNK 0.0817 45 H23 0.4231 -3.9575 0.9871 H 1 UNK 0.0320 46 H24 -0.3114 -3.7952 -0.6576 H 1 UNK 0.0320 47 H25 4.0756 2.9739 2.2607 H 1 UNK 0.0777 48 H26 5.0770 4.0297 1.2935 H 1 UNK 0.0777 49 H27 5.5957 2.3941 1.6235 H 1 UNK 0.0777 50 H28 2.2246 3.3809 0.7343 H 1 UNK 0.0777 51 H29 2.4462 3.0865 -0.9737 H 1 UNK 0.0777 52 H30 3.2587 4.4294 -0.2059 H 1 UNK 0.0777 @BOND 1 1 11 1 2 1 19 1 3 2 19 2 4 3 6 1 5 3 19 am 6 4 12 1 7 4 17 1 8 5 16 1 9 5 20 1 10 5 21 1 11 6 7 1 12 6 11 1 13 7 8 1 14 8 13 1 15 8 15 1 16 9 10 1 17 9 12 1 18 9 13 1 19 10 14 1 20 10 17 1 21 12 18 1 22 14 16 1 23 15 18 1 24 3 22 1 25 4 23 1 26 4 24 1 27 5 25 1 28 6 26 1 29 7 27 1 30 7 28 1 31 8 29 1 32 9 30 1 33 10 31 1 34 11 32 1 35 11 33 1 36 12 34 1 37 13 35 1 38 13 36 1 39 14 37 1 40 14 38 1 41 15 39 1 42 15 40 1 43 16 41 1 44 16 42 1 45 17 43 1 46 17 44 1 47 18 45 1 48 18 46 1 49 20 47 1 50 20 48 1 51 20 49 1 52 21 50 1 53 21 51 1 54 21 52 1