@MOLECULE FDBD00060 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 P 2.4265 -1.6857 -1.6031 P.3 1 UNK 0.2182 2 P1 3.9689 0.2041 0.0446 P.3 1 UNK 0.2206 3 P2 2.2747 1.3030 2.1955 P.3 1 UNK -0.0068 4 O -1.0178 -1.3778 0.9927 O.3 1 UNK -0.3093 5 O1 -4.3652 -2.3641 0.1309 O.3 1 UNK -0.3803 6 O2 -2.5758 -3.9668 1.4015 O.3 1 UNK -0.3862 7 O3 1.3208 -1.9591 -0.4537 O.3 1 UNK -0.3246 8 O4 3.7219 -1.1490 -0.8007 O.3 1 UNK -0.2702 9 O5 2.8767 -3.1624 -2.0870 O.co2 1 UNK -0.4371 10 O6 1.9724 -0.7820 -2.7124 O.2 1 UNK -0.5170 11 O7 2.7556 0.2051 1.1116 O.3 1 UNK -0.3141 12 O8 3.5653 1.3830 -0.9853 O.co2 1 UNK -0.4370 13 O9 5.3343 0.3384 0.6516 O.2 1 UNK -0.5169 14 O10 1.7777 2.5340 1.2735 O.co2 1 UNK -0.5767 15 O11 0.8978 0.6865 2.7749 O.co2 1 UNK -0.5767 16 O12 3.3046 1.6552 3.2283 O.2 1 UNK -0.6374 17 N -2.6388 0.2831 0.4989 N.ar 1 UNK -0.1333 18 N1 -3.6007 2.2916 0.3624 N.ar 1 UNK -0.2989 19 N2 -0.7069 0.6511 -0.9276 N.ar 1 UNK -0.1731 20 N3 -0.6820 2.9223 -1.8204 N.ar 1 UNK -0.2186 21 N4 -2.3836 4.5242 -1.3048 N.pl3 1 UNK -0.3412 22 C -2.9897 -2.1242 -0.0859 C.3 1 UNK 0.1728 23 C1 -2.1230 -3.3336 0.2049 C.3 1 UNK 0.1184 24 C2 -2.4294 -1.1072 0.8967 C.3 1 UNK 0.2980 25 C3 -0.7601 -2.7011 0.4686 C.3 1 UNK 0.1176 26 C4 0.0836 -2.5627 -0.7909 C.3 1 UNK 0.0838 27 C5 -1.8410 1.0320 -0.3205 C.ar 1 UNK 0.3369 28 C6 -3.6828 1.0847 0.8822 C.ar 1 UNK 0.2499 29 C7 -2.4541 2.2726 -0.3915 C.ar 1 UNK 0.1769 30 C8 -1.8319 3.2377 -1.1771 C.ar 1 UNK 0.1499 31 C9 -0.1981 1.6671 -1.6580 C.ar 1 UNK 0.1247 32 H -4.6851 -3.0156 -0.5126 H 1 UNK 0.2103 33 H1 -3.4427 -4.3726 1.2444 H 1 UNK 0.2100 34 H2 -4.2248 3.0427 0.4872 H 1 UNK 0.1712 35 H3 -1.9346 5.1991 -1.8634 H 1 UNK 0.1438 36 H4 -3.2190 4.7503 -0.8356 H 1 UNK 0.1438 37 H5 -2.9552 -1.8154 -1.1098 H 1 UNK 0.0716 38 H6 -2.1273 -4.0658 -0.5754 H 1 UNK 0.0649 39 H7 -2.9425 -1.2114 1.8298 H 1 UNK 0.1445 40 H8 -0.2131 -3.3262 1.1431 H 1 UNK 0.0648 41 H9 0.2597 -3.5301 -1.2128 H 1 UNK 0.0591 42 H10 -0.4315 -1.9560 -1.5061 H 1 UNK 0.0591 43 H11 -4.4452 0.7775 1.5062 H 1 UNK 0.1600 44 H12 0.6787 1.4590 -2.1609 H 1 UNK 0.1050 @BOND 1 1 7 1 2 1 8 1 3 1 9 1 4 1 10 2 5 2 8 1 6 2 11 1 7 2 12 1 8 2 13 2 9 3 11 1 10 3 14 1 11 3 15 1 12 3 16 2 13 4 24 1 14 4 25 1 15 5 22 1 16 6 23 1 17 7 26 1 18 17 24 1 19 17 27 ar 20 17 28 ar 21 18 28 ar 22 18 29 ar 23 19 27 ar 24 19 31 ar 25 20 30 ar 26 20 31 ar 27 21 30 1 28 22 23 1 29 22 24 1 30 23 25 1 31 25 26 1 32 27 29 ar 33 29 30 ar 34 5 32 1 35 6 33 1 36 18 34 1 37 21 35 1 38 21 36 1 39 22 37 1 40 23 38 1 41 24 39 1 42 25 40 1 43 26 41 1 44 26 42 1 45 28 43 1 46 31 44 1