@MOLECULE 1a2t_THP_A_1 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 P 5.0150 11.7680 26.1130 P.3 1 UNL1 0.5326 2 P 6.3310 13.9750 20.3380 P.3 1 UNL1 0.5327 3 O 5.1290 11.5930 27.5610 O.3 1 UNL1 -0.1145 4 O 6.2860 11.6720 25.4090 O.2 1 UNL1 -0.2224 5 O 3.9070 11.0760 25.4710 O.3 1 UNL1 -0.1145 6 O 5.3900 14.0120 19.1520 O.2 1 UNL1 -0.2224 7 O 7.5780 14.7520 20.0700 O.3 1 UNL1 -0.1145 8 O 6.5230 12.6420 20.9150 O.3 1 UNL1 -0.1145 9 C 4.5760 14.1690 22.3780 C.3 1 UNL1 0.1857 10 O 5.5810 14.7250 21.5180 O.3 1 UNL1 -0.2675 11 C 5.0710 14.2610 23.8170 C.3 1 UNL1 0.1748 12 O 5.3360 15.6190 24.2010 O.3 1 UNL1 -0.3345 13 C 3.9920 13.8470 24.7520 C.3 1 UNL1 0.1600 14 O 4.5940 13.3270 25.9700 O.3 1 UNL1 -0.2700 15 C 3.2340 15.1330 24.9630 C.3 1 UNL1 0.0840 16 C 4.3240 16.1230 25.0920 C.3 1 UNL1 0.2017 17 N 3.8710 17.4690 24.7020 N.am 1 UNL1 -0.2189 18 C 3.5540 18.3270 25.7080 C.2 1 UNL1 0.3154 19 O 3.8460 18.1860 26.8730 O.2 1 UNL1 -0.2518 20 N 2.9340 19.4420 25.3690 N.am 1 UNL1 -0.2359 21 C 2.7170 19.8770 24.0810 C.2 1 UNL1 0.2499 22 O 2.1260 20.9440 23.8940 O.2 1 UNL1 -0.2700 23 C 3.2110 19.0110 23.0370 C.2 1 UNL1 0.0469 24 C 2.9730 19.4360 21.5660 C.3 1 UNL1 0.0372 25 C 3.7860 17.8500 23.3850 C.2 1 UNL1 0.0714 26 H 2.5820 20.0100 26.1250 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 15 16 1 21 20 18 am 22 20 26 1 23 4 1 2 24 5 1 1 25 18 19 2 26 14 1 1 27 1 3 1