nuc,num, 2d-hbonds, 3d-hbonds, Coulomb, Vdw, sum E|C:102,|C:102,4.0,0.0,4.31,-48.0,-43.72 E|C:103,|C:103,3.0,0.0,4.66,-45.99,-41.31 E|C:107,|C:107,3.0,0.0,5.93,-42.35,-36.42 E|C:109,|C:109,3.0,0.0,3.15,-54.14,-51.0 E|C:129,|C:129,4.0,1.0,10.83,-63.95,-53.12 E|A:136,|A:136,0.0,0.0,23.54,-50.02,-26.46 E|C:148,|C:148,0.0,2.0,1.8,-27.4,-25.6 E|A:132,|A:132,0.0,2.0,17.98,-53.96,-35.98 E|C:146,|C:146,4.0,0.0,-3.06,-62.99,-66.06 E|C:121,|C:121,3.0,0.0,11.06,-46.31,-35.24 E|C:122,|C:122,3.0,0.0,5.82,-55.82,-50.01 E|U:125,|U:125,0.0,0.0,12.52,-37.79,-25.24 E|U:123,|U:123,0.0,1.0,-5.69,-51.34,-57.04 E|U:147,|U:147,2.0,0.0,2.69,-43.02,-40.33 E|G:111,|G:111,0.0,1.0,12.04,-84.31,-72.26 E|G:110,|G:110,3.0,0.0,10.37,-85.3,-74.93 E|G:113,|G:113,4.0,0.0,17.05,-68.28,-51.22 E|G:133,|G:133,3.0,0.0,0.13,-72.7,-72.58 E|G:114,|G:114,4.0,0.0,13.23,-85.86,-72.64 E|G:116,|G:116,0.0,3.0,6.95,-59.13,-52.18 E|G:118,|G:118,3.0,0.0,-0.61,-77.53,-78.13 E|C:139,|C:139,0.0,0.0,-0.31,-1.03,-1.34 E|GDP:99,|GDP:99,0.0,2.0,0.0,0.0,0.0 E|C:115,|C:115,3.0,0.0,-2.26,-65.35,-67.6 E|C:117,|C:117,3.0,0.0,5.62,-38.87,-33.24 E|A:126,|A:126,0.0,0.0,11.99,-38.75,-26.76 E|C:119,|C:119,3.0,0.0,2.48,-49.72,-47.23 E|U:112,|U:112,0.0,0.0,7.52,-43.9,-36.37 E|G:142,|G:142,4.0,0.0,14.38,-72.87,-58.5 E|G:140,|G:140,3.0,0.0,17.62,-54.22,-36.6 E|G:141,|G:141,4.0,0.0,16.77,-68.58,-51.79 E|U:135,|U:135,0.0,0.0,5.48,-25.42,-19.95 E|U:128,|U:128,2.0,1.0,4.07,-55.67,-51.58 E|G:144,|G:144,3.0,0.0,21.94,-68.33,-46.38 E|G:145,|G:145,4.0,0.0,3.97,-83.63,-79.66 E|U:138,|U:138,0.0,0.0,0.13,-0.3,-0.17 E|C:131,|C:131,3.0,0.0,9.07,-48.28,-39.23 E|C:130,|C:130,4.0,0.0,9.78,-51.24,-41.45 E|C:137,|C:137,4.0,0.0,1.17,-33.11,-31.93 E|C:134,|C:134,4.0,0.0,-1.36,-67.48,-68.84 E|G:124,|G:124,0.0,0.0,17.11,-80.72,-63.61 E|G:127,|G:127,0.0,0.0,11.06,-45.58,-34.5 E|G:120,|G:120,3.0,0.0,0.46,-85.94,-85.49 E|G:108,|G:108,3.0,0.0,-0.13,-90.91,-91.06 E|A:143,|A:143,2.0,0.0,25.64,-73.51,-47.87 E|G:106,|G:106,3.0,0.0,2.27,-82.22,-79.95 E|G:104,|G:104,0.0,1.0,9.22,-86.8,-77.59 E|G:105,|G:105,3.0,0.0,10.03,-81.19,-71.17 E|G:100,|G:100,2.0,0.0,7.68,-44.54,-36.86 E|G:101,|G:101,4.0,0.0,5.26,-66.03,-60.77