@MOLECULE 1a3t_THP_A_1 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 P 4.8220 11.8090 26.1180 P.3 1 UNL1 0.5326 2 P 6.3390 14.1260 20.4230 P.3 1 UNL1 0.5327 3 O 4.5240 11.6570 27.5410 O.3 1 UNL1 -0.1145 4 O 6.2040 11.5790 25.7290 O.3 1 UNL1 -0.1145 5 O 3.8130 11.1570 25.2340 O.2 1 UNL1 -0.2224 6 O 5.4290 14.0850 19.2370 O.2 1 UNL1 -0.2224 7 O 7.5880 14.8690 20.1150 O.3 1 UNL1 -0.1145 8 O 6.4780 12.8350 21.0810 O.3 1 UNL1 -0.1145 9 C 4.5550 14.4790 22.3570 C.3 1 UNL1 0.1857 10 O 5.6070 14.9720 21.5320 O.3 1 UNL1 -0.2675 11 C 5.0190 14.4500 23.8150 C.3 1 UNL1 0.1748 12 O 5.3410 15.7630 24.3160 O.3 1 UNL1 -0.3345 13 C 3.9480 13.9740 24.7620 C.3 1 UNL1 0.1600 14 O 4.6540 13.4190 25.8940 O.3 1 UNL1 -0.2700 15 C 3.1680 15.1790 25.1520 C.3 1 UNL1 0.0840 16 C 4.2610 16.2160 25.1450 C.3 1 UNL1 0.2017 17 N 3.7970 17.5470 24.7190 N.am 1 UNL1 -0.2189 18 C 3.3750 18.3170 25.7420 C.2 1 UNL1 0.3154 19 O 3.7540 18.0970 26.8910 O.2 1 UNL1 -0.2518 20 N 2.6500 19.4260 25.4100 N.am 1 UNL1 -0.2359 21 C 2.5410 19.9530 24.1290 C.2 1 UNL1 0.2499 22 O 1.9400 21.0200 23.9580 O.2 1 UNL1 -0.2700 23 C 3.1450 19.1390 23.0910 C.2 1 UNL1 0.0469 24 C 2.9940 19.5860 21.6130 C.3 1 UNL1 0.0372 25 C 3.7900 18.0000 23.4240 C.2 1 UNL1 0.0714 26 H 2.1240 19.8760 26.1500 H 1 UNL1 0.1594 @BOND 1 6 2 2 2 7 2 1 3 2 8 1 4 2 10 1 5 10 9 1 6 24 23 1 7 9 11 1 8 23 25 2 9 23 21 1 10 25 17 1 11 11 12 1 12 11 13 1 13 22 21 2 14 21 20 am 15 12 16 1 16 17 16 1 17 17 18 am 18 13 15 1 19 13 14 1 20 16 15 1 21 5 1 2 22 20 18 am 23 20 26 1 24 4 1 1 25 18 19 2 26 14 1 1 27 1 3 1