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a 386 82 386 82 nppa 1082 nspa 92 nsph 32 nps 1409 npspher 546 disex 10.0000 disex2 4728.57 rsolv [A] 1.3000 routf 0.8500 phsran 0.0 ampran 0.10E-04 cavity closed epsilon 89.800 refind 1.300 fepsi 0.9833887 V1.0 V1.0 area 1104.52 volume 2425.64 cosmo -0.031877 correction 0.031224 total -0.000653 -1255.4390373513854 -1255.4400519910 -0.0773241587 -0.0783387983 c h s li 2.00 1.30 2.16 1.57 1-3,5-17,22-27 4,18-21,28-32 33 34,35 -0.00000000 164.000000 -164.000000 -0.000000 0.000000 70.391859 -66.250545 4.141314 -370.605507 368.676326 -1.929181 -173.352523 172.796396 -0.556127 11.6980 -80.092901 69.270407 3617.657042 -3664.944556 -47.287515 3972.217542 -4062.736908 -90.519367 305.203974 -407.675796 -102.471822 -1040.022873 1014.978778 -25.044094 -426.991707 416.706878 -10.284828 861.317973 -856.458096 4.859877 298.15 1.0 0.210565588632 0.27101502168999997 0.54065 0.27195960359399995 -1255.228471762368 alpha a 1-82 beta a 1-82