NWChem topology file Generated by the NWChem prepare module 4.60000000/00/00 00:00:00 amber marat 1 16 29 3 0.833333 1.000000 0.000000 0 1 7 N3 14.010000 2 1 H 1.008000 3 6 CT 12.010000 4 1 HP 1.008000 5 1 HC 1.008000 6 6 C 12.010000 7 8 O 16.000000 8 7 N 14.010000 9 1 H1 1.008000 10 6 CT Q 12.010000 11 1 H1 Q 1.008000 12 8 OH Q 16.000000 13 1 HO Q 1.008000 14 8 O2 16.000000 15 8 OWS w 15.999400 16 1 HWS w 1.008000 1 1 3.35274E-03 1.67637E-03 3.95092E-06 1.97546E-06 1 2 8.76984E-05 4.38492E-05 8.89523E-09 4.44762E-09 1 3 3.08322E-03 1.54161E-03 4.16509E-06 2.08255E-06 1 4 2.70184E-04 1.35092E-04 8.44295E-08 4.22148E-08 1 5 5.69575E-04 2.84788E-04 3.75211E-07 1.87606E-07 1 6 2.73366E-03 1.36683E-03 3.69288E-06 1.84644E-06 1 7 2.83349E-03 1.41675E-03 2.53897E-06 1.26949E-06 1 8 3.35274E-03 1.67637E-03 3.95092E-06 1.97546E-06 1 9 4.73847E-04 2.36923E-04 2.59687E-07 1.29843E-07 1 10 3.08322E-03 1.54161E-03 4.16509E-06 2.08255E-06 1 11 4.73847E-04 2.36923E-04 2.59687E-07 1.29843E-07 1 12 3.14099E-03 1.57049E-03 3.11698E-06 1.55849E-06 1 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 1 14 2.83349E-03 1.41675E-03 2.53897E-06 1.26949E-06 1 15 2.96360E-03 1.48180E-03 3.22884E-06 1.61442E-06 1 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 2 2 3.92291E-07 1.96146E-07 5.85688E-13 2.92844E-13 2 3 8.63069E-05 4.31535E-05 1.07394E-08 5.36971E-09 2 4 3.17114E-06 1.58557E-06 3.82718E-11 1.91359E-11 2 5 1.08557E-05 5.42783E-06 4.48498E-10 2.24249E-10 2 6 7.65219E-05 3.82610E-05 9.52185E-09 4.76092E-09 2 7 6.42266E-05 3.21133E-05 4.29258E-09 2.14629E-09 2 8 8.76984E-05 4.38492E-05 8.89523E-09 4.44762E-09 2 9 8.08553E-06 4.04277E-06 2.48809E-10 1.24404E-10 2 10 8.63069E-05 4.31535E-05 1.07394E-08 5.36971E-09 2 11 8.08553E-06 4.04277E-06 2.48809E-10 1.24404E-10 2 12 7.51874E-05 3.75937E-05 5.87714E-09 2.93857E-09 2 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 2 14 6.42266E-05 3.21133E-05 4.29258E-09 2.14629E-09 2 15 7.44794E-05 3.72397E-05 6.71048E-09 3.35524E-09 2 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 3 3 2.82676E-03 1.41338E-03 4.36425E-06 2.18213E-06 3 4 2.56890E-04 1.28445E-04 9.51446E-08 4.75723E-08 3 5 5.31030E-04 2.65515E-04 4.06563E-07 2.03281E-07 3 6 2.50628E-03 1.25314E-03 3.86946E-06 1.93473E-06 3 7 2.62220E-03 1.31110E-03 2.71057E-06 1.35529E-06 3 8 3.08322E-03 1.54161E-03 4.16509E-06 2.08255E-06 3 9 4.43826E-04 2.21913E-04 2.83998E-07 1.41999E-07 3 10 2.82676E-03 1.41338E-03 4.36425E-06 2.18213E-06 3 11 4.43826E-04 2.21913E-04 2.83998E-07 1.41999E-07 3 12 2.89985E-03 1.44992E-03 3.31182E-06 1.65591E-06 3 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 3 14 2.62220E-03 1.31110E-03 2.71057E-06 1.35529E-06 3 15 2.73021E-03 1.36511E-03 3.41598E-06 1.70799E-06 3 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 4 4 1.48956E-05 7.44779E-06 8.44430E-10 4.22215E-10 4 5 3.93822E-05 1.96911E-05 5.90267E-09 2.95133E-09 4 6 2.27765E-04 1.13883E-04 8.43577E-08 4.21788E-08 4 7 2.12945E-04 1.06473E-04 4.71873E-08 2.35937E-08 4 8 2.70184E-04 1.35092E-04 8.44295E-08 4.22148E-08 4 9 3.10868E-05 1.55434E-05 3.67791E-09 1.83895E-09 4 10 2.56890E-04 1.28445E-04 9.51446E-08 4.75723E-08 4 11 3.10868E-05 1.55434E-05 3.67791E-09 1.83895E-09 4 12 2.42389E-04 1.21195E-04 6.10803E-08 3.05402E-08 4 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 4 14 2.12945E-04 1.06473E-04 4.71873E-08 2.35937E-08 4 15 2.34193E-04 1.17097E-04 6.63484E-08 3.31742E-08 4 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 5 5 9.09007E-05 4.54503E-05 3.14473E-08 1.57236E-08 5 6 4.70825E-04 2.35412E-04 3.60469E-07 1.80235E-07 5 7 4.67794E-04 2.33897E-04 2.27719E-07 1.13859E-07 5 8 5.69575E-04 2.84788E-04 3.75211E-07 1.87606E-07 5 9 7.40358E-05 3.70179E-05 2.08609E-08 1.04304E-08 5 10 5.31030E-04 2.65515E-04 4.06563E-07 2.03281E-07 5 11 7.40358E-05 3.70179E-05 2.08609E-08 1.04304E-08 5 12 5.24204E-04 2.62102E-04 2.85678E-07 1.42839E-07 5 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 5 14 4.67794E-04 2.33897E-04 2.27719E-07 1.13859E-07 5 15 4.99434E-04 2.49717E-04 3.01743E-07 1.50872E-07 5 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 6 6 2.22213E-03 1.11107E-03 3.43076E-06 1.71538E-06 6 7 2.32491E-03 1.16245E-03 2.40326E-06 1.20163E-06 6 8 2.73366E-03 1.36683E-03 3.69288E-06 1.84644E-06 6 9 3.93508E-04 1.96754E-04 2.51800E-07 1.25900E-07 6 10 2.50628E-03 1.25314E-03 3.86946E-06 1.93473E-06 6 11 3.93508E-04 1.96754E-04 2.51800E-07 1.25900E-07 6 12 2.57108E-03 1.28554E-03 2.93635E-06 1.46817E-06 6 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 6 14 2.32491E-03 1.16245E-03 2.40326E-06 1.20163E-06 6 15 2.42068E-03 1.21034E-03 3.02870E-06 1.51435E-06 6 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 7 7 2.36348E-03 1.18174E-03 1.58940E-06 7.94701E-07 7 8 2.83349E-03 1.41675E-03 2.53897E-06 1.26949E-06 7 9 3.85427E-04 1.92713E-04 1.54587E-07 7.72934E-08 7 10 2.62220E-03 1.31110E-03 2.71057E-06 1.35529E-06 7 11 3.85427E-04 1.92713E-04 1.54587E-07 7.72934E-08 7 12 2.63299E-03 1.31650E-03 1.97068E-06 9.85339E-07 7 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 7 14 2.36348E-03 1.18174E-03 1.58940E-06 7.94701E-07 7 15 2.49540E-03 1.24770E-03 2.05968E-06 1.02984E-06 7 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 8 8 3.35274E-03 1.67637E-03 3.95092E-06 1.97546E-06 8 9 4.73847E-04 2.36923E-04 2.59687E-07 1.29843E-07 8 10 3.08322E-03 1.54161E-03 4.16509E-06 2.08255E-06 8 11 4.73847E-04 2.36923E-04 2.59687E-07 1.29843E-07 8 12 3.14099E-03 1.57049E-03 3.11698E-06 1.55849E-06 8 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 8 14 2.83349E-03 1.41675E-03 2.53897E-06 1.26949E-06 8 15 2.96360E-03 1.48180E-03 3.22884E-06 1.61442E-06 8 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 9 9 5.98632E-05 2.99316E-05 1.36386E-08 6.81928E-09 9 10 4.43826E-04 2.21913E-04 2.83998E-07 1.41999E-07 9 11 5.98632E-05 2.99316E-05 1.36386E-08 6.81928E-09 9 12 4.33491E-04 2.16746E-04 1.95360E-07 9.76802E-08 9 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 9 14 3.85427E-04 1.92713E-04 1.54587E-07 7.72934E-08 9 15 4.14368E-04 2.07184E-04 2.07708E-07 1.03854E-07 9 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 10 10 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 10 11 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 10 12 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 10 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 10 14 2.62220E-03 1.31110E-03 2.71057E-06 1.35529E-06 10 15 2.73021E-03 1.36511E-03 3.41598E-06 1.70799E-06 10 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 11 11 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 11 12 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 11 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 11 14 3.85427E-04 1.92713E-04 1.54587E-07 7.72934E-08 11 15 4.14368E-04 2.07184E-04 2.07708E-07 1.03854E-07 11 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 12 12 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 12 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 12 14 2.63299E-03 1.31650E-03 1.97068E-06 9.85339E-07 12 15 2.77006E-03 1.38503E-03 2.53564E-06 1.26782E-06 12 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 13 13 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 13 14 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 13 15 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 13 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 14 14 2.36348E-03 1.18174E-03 1.58940E-06 7.94701E-07 14 15 2.49540E-03 1.24770E-03 2.05968E-06 1.02984E-06 14 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 15 15 2.61691E-03 1.30845E-03 2.63324E-06 1.31662E-06 15 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 16 16 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 1 0.141400 0.00000E+00 2 0.199700 0.00000E+00 3 0.096200 0.00000E+00 4 0.088900 0.00000E+00 5 -0.059700 0.00000E+00 6 0.030000 0.00000E+00 7 0.616300 0.00000E+00 8 -0.572200 0.00000E+00 9 -0.415700 0.00000E+00 10 0.271900 0.00000E+00 11 -0.024900 0.00000E+00 12 0.084300 0.00000E+00 13 0.211700 0.00000E+00 14 0.035200 0.00000E+00 15 -0.654600 0.00000E+00 16 0.427500 0.00000E+00 17 0.597300 0.00000E+00 18 -0.567900 0.00000E+00 19 -0.382100 0.00000E+00 20 0.268100 0.00000E+00 21 -0.174700 0.00000E+00 22 0.106700 0.00000E+00 23 -0.209300 0.00000E+00 24 0.076400 0.00000E+00 25 0.773100 0.00000E+00 26 -0.805500 0.00000E+00 27 -0.847600 0.00000E+00 28 0.423800 0.00000E+00 29 0.000000 0.00000E+00 1ALA_N 1 -1 1 1 1 1 2SER 2 0 13 1 1 1 3ALA_C 3 1 24 1 1 1 3 3 0 0 0 0 0 34 29 54 93 0 74 157 0 0 0 spce OW 15 27 27 27 1 spce 2HW 16 28 28 28 2 spce 3HW 16 28 28 28 3 1 2 1 1 0.100000 1.00000E+06 1 3 1 2 0.100000 1.00000E+06 2 3 1 3 0.163333 1.00000E+06 spce HOH 5.220000 ALA_N N 1 1 1 1 1 1 1 1 1 0 0 1 1 ALA_N 2H 1 1 1 1 1 2 2 2 2 0 0 1 2 ALA_N 3H 1 1 1 1 1 2 2 2 2 0 0 1 3 ALA_N 4H 1 1 1 1 1 2 2 2 2 0 0 1 4 ALA_N CA 1 1 1 1 1 3 3 3 3 0 0 1 5 ALA_N HA 1 1 1 1 1 4 4 4 4 0 0 1 6 ALA_N CB 1 1 1 1 1 3 5 5 5 0 0 1 7 ALA_N 2HB 1 1 1 1 1 5 6 6 6 0 0 1 8 ALA_N 3HB 1 1 1 1 1 5 6 6 6 0 0 1 9 ALA_N 4HB 1 1 1 1 1 5 6 6 6 0 0 1 10 ALA_N C 1 1 1 1 1 6 7 7 7 0 0 1 11 ALA_N O 1 1 1 1 1 7 8 8 8 0 0 1 12 SER N 1 1 2 2 2 8 9 9 9 0 0 1 13 SER H 1 1 2 2 2 2 10 10 10 0 0 1 14 SER CA 1 1 2 2 2 3 11 11 11 0 0 1 15 SER HA 1 1 2 2 2 9 12 12 12 0 0 1 16 SER CB 1 1 2 2 2 10 29 29 29 0 0 1 17 SER 2HB 1 1 2 2 2 11 29 29 29 0 0 1 18 SER 3HB 1 1 2 2 2 11 29 29 29 0 0 1 19 SER OG 1 1 2 2 2 12 29 29 29 0 0 1 20 SER HG 1 1 2 2 2 13 29 29 29 0 0 1 21 SER C 1 1 2 2 2 6 17 17 17 0 0 1 22 SER O 1 1 2 2 2 7 18 18 18 0 0 1 23 ALA_C N 1 1 3 3 3 8 19 19 19 0 0 1 24 ALA_C H 1 1 3 3 3 2 20 20 20 0 0 1 25 ALA_C CA 1 1 3 3 3 3 21 21 21 0 0 1 26 ALA_C HA 1 1 3 3 3 9 22 22 22 0 0 1 27 ALA_C CB 1 1 3 3 3 3 23 23 23 0 0 1 28 ALA_C 2HB 1 1 3 3 3 5 24 24 24 0 0 1 29 ALA_C 3HB 1 1 3 3 3 5 24 24 24 0 0 1 30 ALA_C 4HB 1 1 3 3 3 5 24 24 24 0 0 1 31 ALA_C C 1 1 3 3 3 6 25 25 25 0 0 1 32 ALA_C O 1 1 3 3 3 14 26 26 26 0 0 1 33 ALA_C OXT 1 1 3 3 3 14 26 26 26 0 0 1 34 1 2 1 1 0.101000 3.63171E+05 1 3 1 2 0.101000 3.63171E+05 1 4 1 3 0.101000 3.63171E+05 1 5 0 4 0.147100 3.07106E+05 5 6 1 5 0.109000 2.84512E+05 5 7 0 6 0.152600 2.59408E+05 5 11 0 7 0.152200 2.65266E+05 7 8 1 8 0.109000 2.84512E+05 7 9 1 9 0.109000 2.84512E+05 7 10 1 10 0.109000 2.84512E+05 11 12 0 11 0.122900 4.76976E+05 11 13 0 12 0.133500 4.10032E+05 13 14 1 13 0.101000 3.63171E+05 13 15 0 14 0.144900 2.82002E+05 15 16 1 15 0.109000 2.84512E+05 15 17 0 16 0.152600 2.59408E+05 15 22 0 17 0.152200 2.65266E+05 22 23 0 18 0.122900 4.76976E+05 22 24 0 19 0.133500 4.10032E+05 24 25 1 20 0.101000 3.63171E+05 24 26 0 21 0.144900 2.82002E+05 26 27 1 22 0.109000 2.84512E+05 26 28 0 23 0.152600 2.59408E+05 26 32 0 24 0.152200 2.65266E+05 28 29 1 25 0.109000 2.84512E+05 28 30 1 26 0.109000 2.84512E+05 28 31 1 27 0.109000 2.84512E+05 32 33 0 28 0.125000 5.48941E+05 32 34 0 29 0.125000 5.48941E+05 2 1 3 0 1 1.911140 2.92880E+02 2 1 4 0 2 1.911140 2.92880E+02 2 1 5 0 3 1.911140 4.18400E+02 3 1 4 0 4 1.911140 2.92880E+02 3 1 5 0 5 1.911140 4.18400E+02 4 1 5 0 6 1.911140 4.18400E+02 1 5 6 0 7 1.911140 4.18400E+02 1 5 7 0 8 1.940810 6.69440E+02 1 5 11 0 9 1.940810 6.69440E+02 6 5 7 0 10 1.911140 4.18400E+02 6 5 11 0 11 1.911140 4.18400E+02 7 5 11 0 12 1.939060 5.27184E+02 5 7 8 0 13 1.911140 4.18400E+02 5 7 9 0 14 1.911140 4.18400E+02 5 7 10 0 15 1.911140 4.18400E+02 8 7 9 0 16 1.911140 2.92880E+02 8 7 10 0 17 1.911140 2.92880E+02 9 7 10 0 18 1.911140 2.92880E+02 5 11 12 0 19 2.101380 6.69440E+02 5 11 13 0 20 2.035050 5.85760E+02 12 11 13 0 21 2.145010 6.69440E+02 11 13 14 0 22 2.094400 4.18400E+02 11 13 15 0 23 2.127560 4.18400E+02 14 13 15 0 24 2.060190 4.18400E+02 13 15 16 0 25 1.911140 4.18400E+02 13 15 17 0 26 1.914630 6.69440E+02 13 15 22 0 27 1.921610 5.27184E+02 16 15 17 0 28 1.911140 4.18400E+02 16 15 22 0 29 1.911140 4.18400E+02 17 15 22 0 30 1.939060 5.27184E+02 15 17 18 0 31 1.911140 4.18400E+02 15 17 19 0 32 1.911140 4.18400E+02 15 17 20 0 33 1.911140 4.18400E+02 15 22 23 0 34 2.101380 6.69440E+02 15 22 24 0 35 2.035050 5.85760E+02 23 22 24 0 36 2.145010 6.69440E+02 22 24 25 0 37 2.094400 4.18400E+02 22 24 26 0 38 2.127560 4.18400E+02 25 24 26 0 39 2.060190 4.18400E+02 24 26 27 0 40 1.911140 4.18400E+02 24 26 28 0 41 1.914630 6.69440E+02 24 26 32 0 42 1.921610 5.27184E+02 27 26 28 0 43 1.911140 4.18400E+02 27 26 32 0 44 1.911140 4.18400E+02 28 26 32 0 45 1.939060 5.27184E+02 26 28 29 0 46 1.911140 4.18400E+02 26 28 30 0 47 1.911140 4.18400E+02 26 28 31 0 48 1.911140 4.18400E+02 29 28 30 0 49 1.911140 2.92880E+02 29 28 31 0 50 1.911140 2.92880E+02 30 28 31 0 51 1.911140 2.92880E+02 26 32 33 0 52 2.042040 5.85760E+02 26 32 34 0 53 2.042040 5.85760E+02 33 32 34 0 54 2.199110 6.69440E+02 2 1 5 6 0 1 3 0.000000 6.50844E-01 2 1 5 7 0 2 3 0.000000 6.50844E-01 2 1 5 11 0 3 3 0.000000 6.50844E-01 3 1 5 6 0 4 3 0.000000 6.50844E-01 3 1 5 7 0 5 3 0.000000 6.50844E-01 3 1 5 11 0 6 3 0.000000 6.50844E-01 4 1 5 6 0 7 3 0.000000 6.50844E-01 4 1 5 7 0 8 3 0.000000 6.50844E-01 4 1 5 11 0 9 3 0.000000 6.50844E-01 1 5 7 8 0 10 3 0.000000 6.50844E-01 1 5 7 9 0 11 3 0.000000 6.50844E-01 1 5 7 10 0 12 3 0.000000 6.50844E-01 6 5 7 8 0 13 3 0.000000 6.50844E-01 6 5 7 9 0 14 3 0.000000 6.50844E-01 6 5 7 10 0 15 3 0.000000 6.50844E-01 11 5 7 8 0 16 3 0.000000 6.50844E-01 11 5 7 9 0 17 3 0.000000 6.50844E-01 11 5 7 10 0 18 3 0.000000 6.50844E-01 1 5 11 12 0 19 2 0.000000 0.00000E+00 1 5 11 13 0 20 2 0.000000 0.00000E+00 6 5 11 12 0 21 2 0.000000 0.00000E+00 6 5 11 13 0 22 2 0.000000 0.00000E+00 7 5 11 12 0 23 2 0.000000 0.00000E+00 7 5 11 13 0 24 -4 0.000000 4.18400E-01 7 5 11 13 0 24 2 0.000000 2.92880E-01 5 11 13 14 0 25 2 3.141590 1.04600E+01 5 11 13 15 0 26 2 3.141590 1.04600E+01 12 11 13 14 0 27 -2 3.141590 1.04600E+01 12 11 13 14 0 27 1 0.000000 8.36800E+00 12 11 13 15 0 28 2 3.141590 1.04600E+01 11 13 15 16 0 29 2 0.000000 0.00000E+00 11 13 15 17 0 30 -4 3.141590 2.09200E+00 11 13 15 17 0 30 -3 3.141590 6.27600E-01 11 13 15 17 0 30 1 0.000000 2.21752E+00 11 13 15 22 0 31 -2 3.141590 3.55640E+00 11 13 15 22 0 31 1 0.000000 3.34720E+00 14 13 15 16 0 32 2 0.000000 0.00000E+00 14 13 15 17 0 33 2 0.000000 0.00000E+00 14 13 15 22 0 34 2 0.000000 0.00000E+00 13 15 17 18 0 35 3 0.000000 6.50844E-01 13 15 17 19 0 36 3 0.000000 6.50844E-01 13 15 17 20 0 37 3 0.000000 6.50844E-01 16 15 17 18 0 38 3 0.000000 6.50844E-01 16 15 17 19 0 39 3 0.000000 6.50844E-01 16 15 17 20 0 40 1 0.000000 1.04600E+00 22 15 17 18 0 41 3 0.000000 6.50844E-01 22 15 17 19 0 42 3 0.000000 6.50844E-01 22 15 17 20 0 43 3 0.000000 6.50844E-01 13 15 22 23 0 44 2 0.000000 0.00000E+00 13 15 22 24 0 45 -1 3.141590 7.11280E+00 13 15 22 24 0 45 2 3.141590 8.36800E+00 16 15 22 23 0 46 -1 0.000000 3.34720E+00 16 15 22 23 0 46 3 3.141590 3.34720E-01 16 15 22 24 0 47 2 0.000000 0.00000E+00 17 15 22 23 0 48 2 0.000000 0.00000E+00 17 15 22 24 0 49 -4 0.000000 4.18400E-01 17 15 22 24 0 49 2 0.000000 2.92880E-01 15 17 20 21 0 50 -3 0.000000 6.69440E-01 15 17 20 21 0 50 1 0.000000 1.04600E+00 15 22 24 25 0 51 2 3.141590 1.04600E+01 15 22 24 26 0 52 2 3.141590 1.04600E+01 23 22 24 25 0 53 -2 3.141590 1.04600E+01 23 22 24 25 0 53 1 0.000000 8.36800E+00 23 22 24 26 0 54 2 3.141590 1.04600E+01 22 24 26 27 0 55 2 0.000000 0.00000E+00 22 24 26 28 0 56 -4 3.141590 2.09200E+00 22 24 26 28 0 56 -3 3.141590 6.27600E-01 22 24 26 28 0 56 1 0.000000 2.21752E+00 22 24 26 32 0 57 -2 3.141590 3.55640E+00 22 24 26 32 0 57 1 0.000000 3.34720E+00 25 24 26 27 0 58 2 0.000000 0.00000E+00 25 24 26 28 0 59 2 0.000000 0.00000E+00 25 24 26 32 0 60 2 0.000000 0.00000E+00 24 26 28 29 0 61 3 0.000000 6.50844E-01 24 26 28 30 0 62 3 0.000000 6.50844E-01 24 26 28 31 0 63 3 0.000000 6.50844E-01 27 26 28 29 0 64 3 0.000000 6.50844E-01 27 26 28 30 0 65 3 0.000000 6.50844E-01 27 26 28 31 0 66 3 0.000000 6.50844E-01 32 26 28 29 0 67 3 0.000000 6.50844E-01 32 26 28 30 0 68 3 0.000000 6.50844E-01 32 26 28 31 0 69 3 0.000000 6.50844E-01 24 26 32 33 0 70 2 0.000000 0.00000E+00 24 26 32 34 0 71 2 0.000000 0.00000E+00 27 26 32 33 0 72 2 0.000000 0.00000E+00 27 26 32 34 0 73 2 0.000000 0.00000E+00 28 26 32 33 0 74 2 0.000000 0.00000E+00 28 26 32 34 0 75 2 0.000000 0.00000E+00 5 13 11 12 0 1 2 3.141590 4.39320E+01 15 11 13 14 0 2 2 -3.141590 4.60240E+00 15 24 22 23 0 3 2 3.141590 4.39320E+01 26 22 24 25 0 4 2 -3.141590 4.60240E+00 26 33 32 34 0 5 2 3.141590 4.39320E+01 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 6 6 7 7 8 9 10 11 11 11 12 12 13 13 13 13 13 14 14 14 15 15 16 16 16 16 16 17 17 18 19 20 22 22 22 23 23 24 24 24 24 24 25 25 25 27 27 27 27 27 28 28 29 30 31 8 9 10 12 13 6 7 11 6 7 11 6 7 11 14 15 8 9 10 12 13 12 13 11 11 11 16 17 22 14 15 18 19 20 23 24 16 17 22 25 26 18 19 20 23 24 23 24 22 22 22 27 28 32 25 26 29 30 31 33 34 27 28 32 29 30 31 33 34 33 34 32 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 10 11 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 17 17 17 18 19 20 22 22 22 22 22 22 22 23 23 23 24 24 24 24 24 24 24 24 24 24 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 30 30 31 32 32 33 2 3 4 5 6 7 8 9 10 11 12 13 3 4 5 6 7 11 4 5 6 7 11 5 6 7 11 6 7 8 9 10 11 12 13 14 15 7 8 9 10 11 12 13 8 9 10 11 12 13 9 10 11 10 11 11 12 13 14 15 16 17 22 13 14 15 14 15 16 17 18 19 20 22 23 24 15 16 17 22 16 17 18 19 20 22 23 24 25 26 17 18 19 20 22 23 24 22 23 24 22 22 22 23 24 25 26 27 28 32 24 25 26 25 26 27 28 29 30 31 32 33 34 26 27 28 32 27 28 29 30 31 32 33 34 28 29 30 31 32 33 34 29 30 31 32 33 34 30 31 32 31 32 32 33 34 34