@MOLECULE 1a5u_ATP_F_1 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 P 39.9180 164.3820 28.5800 P.3 1 UNL1 0.2189 2 P 40.5480 164.2770 25.7740 P.3 1 UNL1 0.2277 3 P 39.5510 167.0160 25.2870 P.3 1 UNL1 0.5373 4 C 41.7310 162.4820 29.4040 C.3 1 UNL1 0.1813 5 O 40.4200 163.0540 29.5940 O.3 1 UNL1 -0.3112 6 C 41.6270 160.9830 29.1830 C.3 1 UNL1 0.1822 7 O 40.7010 160.4370 30.1820 O.3 1 UNL1 -0.3133 8 C 41.0680 160.5480 27.8130 C.3 1 UNL1 0.2185 9 O 42.0850 160.5170 26.7680 O.3 1 UNL1 -0.2174 10 C 40.4700 159.1960 28.1840 C.3 1 UNL1 0.2573 11 O 41.4970 158.1630 28.1340 O.3 1 UNL1 -0.2130 12 C 39.9170 159.4240 29.6230 C.3 1 UNL1 0.3227 13 N 34.9770 157.7050 30.1340 N.2 1 UNL1 0.0233 14 O 40.7880 165.6030 28.8290 O.2 1 UNL1 -0.5170 15 O 40.3760 163.1940 24.7770 O.2 1 UNL1 -0.5168 16 O 40.0170 167.6040 26.5830 O.3 1 UNL1 -0.1143 17 C 36.2010 157.0350 29.9360 C.2 1 UNL1 0.4723 18 O 38.5160 164.7440 28.8390 O.3 1 UNL1 -0.4371 19 O 41.9840 164.6660 25.7980 O.3 1 UNL1 -0.4368 20 O 40.4780 167.6010 24.2570 O.2 1 UNL1 -0.2221 21 N 37.3880 157.5130 29.7920 N.2 1 UNL1 0.0157 22 O 40.1120 163.7090 27.2210 O.3 1 UNL1 -0.2700 23 O 39.6520 165.3210 25.2570 O.3 1 UNL1 -0.2258 24 O 38.2240 167.4660 25.0480 O.3 1 UNL1 -0.1143 25 C 37.3600 158.8800 29.7860 C.2 1 UNL1 0.3612 26 C 36.2040 159.6850 30.0230 C.2 1 UNL1 0.2581 27 C 34.9580 159.0780 30.1140 C.2 1 UNL1 0.4441 28 N 33.7810 159.8440 30.2320 N.pl3 1 UNL1 0.2185 29 N 36.5300 161.0360 29.8570 N.2 1 UNL1 -0.1898 30 C 37.8430 161.0520 29.7340 C.2 1 UNL1 0.2844 31 N 38.4380 159.7850 29.7100 N.pl3 1 UNL1 -0.1246 @BOND 1 20 3 2 2 15 2 2 3 24 3 1 4 23 3 1 5 23 2 1 6 3 16 1 7 2 19 1 8 2 22 1 9 9 8 1 10 22 1 1 11 8 10 1 12 8 6 1 13 11 10 1 14 10 12 1 15 1 14 2 16 1 18 1 17 1 5 1 18 6 4 1 19 6 7 1 20 4 5 1 21 12 31 1 22 12 7 1 23 31 30 1 24 31 25 1 25 30 29 2 26 25 21 2 27 25 26 1 28 21 17 1 29 29 26 1 30 17 13 2 31 26 27 2 32 27 13 1 33 27 28 1