@MOLECULE FDBD00264 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7616 0.1546 1.6429 O.3 1 UNK -0.3730 2 O1 0.7244 -0.0298 0.8090 O.3 1 UNK -0.4500 3 O2 -0.4095 -0.3332 2.7923 O.2 1 UNK -0.2472 4 N 3.5081 -1.2682 -0.1868 N.pl3 1 UNK -0.2243 5 N1 3.5269 1.0904 0.2815 N.2 1 UNK -0.0841 6 C -1.8553 -1.0465 -0.1961 C.3 1 UNK 0.0026 7 C1 -3.1617 -0.8904 -0.9860 C.3 1 UNK -0.0467 8 C2 -1.8453 -2.3654 0.5885 C.3 1 UNK -0.0467 9 C3 -1.6471 0.1409 0.7422 C.3 1 UNK 0.1902 10 C4 -3.4192 -2.0918 -1.8927 C.3 1 UNK -0.0527 11 C5 -2.1047 -3.5643 -0.3210 C.3 1 UNK -0.0527 12 C6 -3.3997 -3.4016 -1.1109 C.3 1 UNK -0.0530 13 C7 -1.5951 1.5208 0.0926 C.ar 1 UNK -0.0051 14 C8 -0.3958 -0.1069 1.5884 C.2 1 UNK 0.3446 15 C9 -2.1295 2.5940 0.7719 C.ar 1 UNK -0.0553 16 C10 -1.0157 1.6465 -1.1513 C.ar 1 UNK -0.0553 17 C11 1.9660 -0.2359 1.4897 C.3 1 UNK 0.1941 18 C12 -2.0823 3.8551 0.1778 C.ar 1 UNK -0.0614 19 C13 -0.9683 2.9076 -1.7453 C.ar 1 UNK -0.0614 20 C14 3.0740 -0.1109 0.4606 C.cat 1 UNK 0.3205 21 C15 4.5921 -1.1909 -1.1615 C.3 1 UNK 0.0838 22 C16 5.4571 0.0208 -0.8480 C.3 1 UNK 0.0252 23 C17 -1.5016 4.0120 -1.0808 C.ar 1 UNK -0.0617 24 C18 4.5793 1.2580 -0.7270 C.3 1 UNK 0.1353 25 C19 2.8646 -2.5647 -0.0302 C.3 1 UNK 0.0694 26 H -3.5788 0.3097 1.1438 H 1 UNK 0.2113 27 H1 -1.0450 -1.0689 -0.8946 H 1 UNK 0.0337 28 H2 -3.0997 -0.0082 -1.5883 H 1 UNK 0.0269 29 H3 -3.9686 -0.8207 -0.2867 H 1 UNK 0.0269 30 H4 -2.6068 -2.3283 1.3393 H 1 UNK 0.0269 31 H5 -0.8779 -2.4841 1.0299 H 1 UNK 0.0269 32 H6 -2.6607 -2.1264 -2.6466 H 1 UNK 0.0265 33 H7 -4.3890 -1.9783 -2.3302 H 1 UNK 0.0265 34 H8 -2.1732 -4.4472 0.2796 H 1 UNK 0.0265 35 H9 -1.2954 -3.6369 -1.0172 H 1 UNK 0.0265 36 H10 -3.4927 -4.2172 -1.7972 H 1 UNK 0.0265 37 H11 -4.2153 -3.3904 -0.4183 H 1 UNK 0.0265 38 H12 -2.5566 2.4671 1.7027 H 1 UNK 0.0621 39 H13 -0.6241 0.8229 -1.6344 H 1 UNK 0.0621 40 H14 1.9842 -1.2109 1.9301 H 1 UNK 0.0826 41 H15 2.0928 0.4845 2.2707 H 1 UNK 0.0826 42 H16 -2.4770 4.6721 0.6694 H 1 UNK 0.0618 43 H17 -0.5387 3.0236 -2.6764 H 1 UNK 0.0618 44 H18 4.1831 -1.0944 -2.1455 H 1 UNK 0.0727 45 H19 5.1853 -2.0800 -1.1125 H 1 UNK 0.0727 46 H20 6.1677 0.1641 -1.6350 H 1 UNK 0.0341 47 H21 5.9727 -0.1404 0.0756 H 1 UNK 0.0341 48 H22 -1.4666 4.9451 -1.5203 H 1 UNK 0.0618 49 H23 5.1923 2.0905 -0.4512 H 1 UNK 0.0792 50 H24 4.1067 1.4210 -1.6730 H 1 UNK 0.0792 51 H25 2.0924 -2.4929 0.7070 H 1 UNK 0.0689 52 H26 3.5895 -3.2873 0.2818 H 1 UNK 0.0689 53 H27 2.4390 -2.8668 -0.9643 H 1 UNK 0.0689 @BOND 1 1 9 1 2 2 14 1 3 2 17 1 4 3 14 2 5 4 20 1 6 4 21 1 7 4 25 1 8 5 20 2 9 5 24 1 10 6 7 1 11 6 8 1 12 6 9 1 13 7 10 1 14 8 11 1 15 9 13 1 16 9 14 1 17 10 12 1 18 11 12 1 19 13 15 ar 20 13 16 ar 21 15 18 ar 22 16 19 ar 23 17 20 1 24 18 23 ar 25 19 23 ar 26 21 22 1 27 22 24 1 28 1 26 1 29 6 27 1 30 7 28 1 31 7 29 1 32 8 30 1 33 8 31 1 34 10 32 1 35 10 33 1 36 11 34 1 37 11 35 1 38 12 36 1 39 12 37 1 40 15 38 1 41 16 39 1 42 17 40 1 43 17 41 1 44 18 42 1 45 19 43 1 46 21 44 1 47 21 45 1 48 22 46 1 49 22 47 1 50 23 48 1 51 24 49 1 52 24 50 1 53 25 51 1 54 25 52 1 55 25 53 1