Id,Bond1,E1,Q1,Charge1,E2,Q2,Charge2,Bond2,E3,Q3,Charge3
d18,7,c,22,-0.13300000000000001,c,22,-0.13300000000000001,7,c,22,0.097000000000000003
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,22,-0.13300000000000001
d18,7,c,22,-0.13300000000000001,c,22,0.097000000000000003,7,c,29,-0.0030000000000000001
d18,1,c,14,0.54700000000000004,c,22,0.097000000000000003,7,c,22,-0.13300000000000001
d18,7,c,22,-0.13300000000000001,c,29,-0.0030000000000000001,7,c,22,0.097000000000000003
d18,1,c,29,-0.0030000000000000001,c,29,-0.0030000000000000001,7,c,22,0.097000000000000003
d18,7,c,22,-0.13300000000000001,c,22,-0.13300000000000001,7,c,29,-0.0030000000000000001
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,29,-0.0030000000000000001
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,22,-0.13300000000000001
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,22,-0.13300000000000001
d18,7,c,22,-0.13300000000000001,c,22,-0.13300000000000001,7,c,22,0.097000000000000003
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,22,0.097000000000000003
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,22,-0.13300000000000001
d18,1,n,38,0.79800000000000004,c,22,-0.13300000000000001,7,c,22,-0.13300000000000001
d18,7,c,22,-0.13300000000000001,c,22,-0.13300000000000001,7,c,29,-0.0030000000000000001
d18,1,h,3,0.127,c,22,-0.13300000000000001,7,c,22,-0.13300000000000001
d18,7,c,22,-0.13300000000000001,c,29,-0.0030000000000000001,7,c,22,0.097000000000000003
d18,1,c,29,-0.0030000000000000001,c,29,-0.0030000000000000001,7,c,22,-0.13300000000000001
d18,7,c,22,-0.13300000000000001,c,22,0.097000000000000003,7,c,29,-0.0030000000000000001
d18,1,c,14,0.54700000000000004,c,22,0.097000000000000003,7,c,29,-0.0030000000000000001
d18,1,c,29,-0.0030000000000000001,c,29,-0.0030000000000000001,7,c,22,0.097000000000000003
d18,1,c,29,-0.0030000000000000001,c,29,-0.0030000000000000001,7,c,22,-0.13300000000000001
d18,1,c,22,0.097000000000000003,c,14,0.54700000000000004,2,o,40,-0.55200000000000005
d18,1,c,14,0.54700000000000004,c,22,0.097000000000000003,7,c,22,-0.13300000000000001
d18,1,c,14,0.54700000000000004,c,22,0.097000000000000003,7,c,29,-0.0030000000000000001
d18,1,c,22,-0.13300000000000001,n,38,0.79800000000000004,2,o,40,-0.40300000000000002
d18,1,c,22,-0.13300000000000001,n,38,0.79800000000000004,2,o,40,-0.40300000000000002
d18,1,c,22,-0.13300000000000001,n,38,0.79800000000000004,2,o,40,-0.40300000000000002
d26,1,n,38,0.83599999999999997,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,h,3,0.16700000000000001,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,n,38,0.83599999999999997,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,cl,93,-0.16300000000000001,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,h,3,0.16700000000000001,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,h,3,0.16700000000000001,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,cl,93,-0.16300000000000001,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,cl,93,-0.16300000000000001,c,22,-0.092999999999999999,7,c,22,-0.092999999999999999
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997,2,o,40,-0.36299999999999999
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997,2,o,40,-0.36299999999999999
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997,2,o,40,-0.36299999999999999
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997,2,o,40,-0.36299999999999999
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997,2,o,40,-0.36299999999999999
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997,2,o,40,-0.36299999999999999
d28,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,c,10,0.012,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,1,c,29,0.012,c,29,0.012,7,c,22,-0.11799999999999999
d28,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,h,3,0.14199999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,1,n,38,0.81100000000000005,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,22,0.311
d28,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,1,f,92,-0.28899999999999998,c,22,0.311,7,c,22,-0.11799999999999999
d28,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,22,0.311
d28,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,0.311
d28,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,1,c,29,0.012,c,29,0.012,7,c,22,-0.11799999999999999
d28,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,c,10,0.012,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,c,29,0.012,c,29,0.012,7,c,22,-0.11799999999999999
d28,1,c,29,0.012,c,29,0.012,7,c,22,-0.11799999999999999
d28,1,c,22,-0.11799999999999999,c,10,0.012,1,h,3,0.062
d28,1,c,22,-0.11799999999999999,c,10,0.012,1,h,3,0.062
d28,1,c,10,0.012,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d28,1,c,10,0.012,c,22,-0.11799999999999999,7,c,29,0.012
d28,1,c,22,-0.11799999999999999,n,38,0.81100000000000005,2,o,40,-0.38900000000000001
d28,1,c,22,-0.11799999999999999,n,38,0.81100000000000005,2,o,40,-0.38900000000000001
d51,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,n,38,0.81100000000000005,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,27,-0.088999999999999996,c,27,-0.088999999999999996,7,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,22,0.012,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d51,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,27,-0.088999999999999996,c,27,-0.088999999999999996,7,c,27,0.012
d51,7,c,27,-0.088999999999999996,c,27,-0.088999999999999996,7,c,27,0.012
d51,7,c,27,-0.088999999999999996,c,27,-0.088999999999999996,7,c,27,0.012
d51,7,c,22,0.012,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,22,0.012,c,22,0.012,7,c,27,0.012
d51,1,c,10,-0.088999999999999996,c,22,0.012,7,c,27,0.012
d51,7,c,22,0.012,c,22,0.012,7,c,27,0.012
d51,1,c,10,-0.088999999999999996,c,22,0.012,7,c,22,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,22,0.012
d51,7,c,22,0.012,c,27,0.012,7,c,27,-0.088999999999999996
d51,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,h,3,0.14099999999999999,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d51,7,c,22,-0.11799999999999999,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,n,38,0.81100000000000005,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,22,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012,7,c,27,-0.088999999999999996
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,c,22,0.012
d51,1,c,22,0.012,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,22,0.012,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,c,22,0.012
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,10,-0.088999999999999996,1,h,3,0.062
d51,1,c,10,-0.088999999999999996,c,22,0.012,7,c,27,0.012
d51,1,c,10,-0.088999999999999996,c,22,0.012,7,c,22,0.012
d51,1,n,38,0.81100000000000005,c,22,-0.11799999999999999,7,c,27,0.012
d51,1,n,38,0.81100000000000005,c,22,-0.11799999999999999,7,c,22,-0.11799999999999999
d51,1,c,22,-0.11799999999999999,n,38,0.81100000000000005,2,o,40,-0.38900000000000001
d51,1,c,22,-0.11799999999999999,n,38,0.81100000000000005,2,o,40,-0.39000000000000001
d51,1,c,22,-0.11799999999999999,n,38,0.81100000000000005,2,o,40,-0.39000000000000001
d51,2,o,40,-0.39000000000000001,n,38,0.81100000000000005,2,o,40,-0.38900000000000001
d63,7,c,21,-0.13400000000000001,c,21,-0.13400000000000001,7,c,21,-0.0040000000000000001
d63,1,h,3,0.126,c,21,-0.13400000000000001,7,c,21,-0.0040000000000000001
d63,7,c,21,-0.13400000000000001,c,21,-0.13400000000000001,7,c,21,0.096000000000000002
d63,1,h,3,0.126,c,21,-0.13400000000000001,7,c,21,-0.13400000000000001
d63,7,c,21,-0.13400000000000001,c,21,0.096000000000000002,7,o,52,-0.034000000000000002
d63,1,c,14,0.59699999999999998,c,21,0.096000000000000002,7,c,21,-0.13400000000000001
d63,7,c,21,-0.0040000000000000001,o,52,-0.034000000000000002,7,c,21,0.096000000000000002
d63,7,c,21,-0.13400000000000001,c,21,-0.0040000000000000001,7,o,52,-0.034000000000000002
d63,1,n,38,0.79700000000000004,c,21,-0.0040000000000000001,7,o,52,-0.034000000000000002
d63,1,c,21,-0.0040000000000000001,n,38,0.79700000000000004,2,o,40,-0.40300000000000002
d63,1,c,21,-0.0040000000000000001,n,38,0.79700000000000004,2,o,40,-0.40300000000000002
d63,1,c,21,0.096000000000000002,c,14,0.59699999999999998,2,n,32,-0.40400000000000003
d63,1,c,21,0.096000000000000002,c,14,0.59699999999999998,1,h,3,0.045999999999999999
d63,1,n,32,-0.40400000000000003,n,32,-0.40400000000000003,2,c,14,0.59699999999999998
d63,1,c,14,0.59699999999999998,n,32,-0.40400000000000003,1,n,32,-0.40400000000000003
d63,1,h,1,0.246,n,32,-0.40400000000000003,1,n,32,-0.40400000000000003
d63,1,c,16,-0.20399999999999999,c,14,0.59699999999999998,1,n,32,-0.40400000000000003
d63,1,n,32,-0.40400000000000003,c,14,0.59699999999999998,2,o,40,-0.55300000000000005
d63,1,c,14,0.59699999999999998,c,16,-0.20399999999999999,2,c,16,-0.20399999999999999
d63,1,c,14,0.59699999999999998,c,16,-0.20399999999999999,1,h,3,0.096000000000000002
d63,1,c,21,0.096000000000000002,c,16,-0.20399999999999999,2,c,16,-0.20399999999999999
d63,1,h,3,0.096000000000000002,c,16,-0.20399999999999999,2,c,16,-0.20399999999999999
d63,7,c,21,-0.13400000000000001,c,21,-0.13400000000000001,7,c,21,0.096000000000000002
d63,1,h,3,0.126,c,21,-0.13400000000000001,7,c,21,0.096000000000000002
d63,7,c,21,-0.13400000000000001,c,21,-0.13400000000000001,7,c,21,-0.0040000000000000001
d63,1,h,3,0.126,c,21,-0.13400000000000001,7,c,21,-0.13400000000000001
d63,1,n,38,0.79700000000000004,c,21,-0.0040000000000000001,7,c,21,-0.13400000000000001
d63,7,c,21,-0.0040000000000000001,c,21,-0.13400000000000001,7,c,21,0.096000000000000002
d63,1,h,3,0.126,c,21,-0.13400000000000001,7,c,21,-0.0040000000000000001
d63,1,c,16,-0.20399999999999999,c,21,0.096000000000000002,7,c,21,-0.13400000000000001
d63,1,c,21,-0.0040000000000000001,n,38,0.79700000000000004,2,o,40,-0.40400000000000003
d63,1,c,21,-0.0040000000000000001,n,38,0.79700000000000004,2,o,40,-0.40300000000000002
d63,1,c,16,-0.20399999999999999,c,21,0.096000000000000002,7,c,21,-0.13400000000000001
d63,1,c,16,-0.20399999999999999,c,21,0.096000000000000002,7,c,21,-0.13400000000000001
d67,7,c,22,-0.122,c,22,-0.122,7,c,27,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,22,-0.122
d67,7,c,22,-0.122,c,27,0.0080000000000000002,7,c,27,-0.091999999999999998
d67,7,c,27,0.0080000000000000002,c,27,-0.091999999999999998,7,c,28,0.0080000000000000002
d67,7,c,27,0.0080000000000000002,c,27,-0.091999999999999998,7,c,29,0.0080000000000000002
d67,7,c,22,-0.122,c,28,0.0080000000000000002,7,c,27,-0.091999999999999998
d67,1,c,28,0.0080000000000000002,c,28,0.0080000000000000002,7,c,27,-0.091999999999999998
d67,7,c,22,-0.122,c,22,-0.122,7,c,28,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,28,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,22,-0.122
d67,7,c,22,0.25800000000000001,c,22,-0.122,7,c,27,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,27,0.0080000000000000002
d67,1,o,45,-0.64300000000000002,c,22,0.25800000000000001,7,c,22,-0.122
d67,7,c,22,0.25800000000000001,c,22,-0.122,7,c,29,0.0080000000000000002
d67,1,n,38,0.80700000000000005,c,22,-0.122,7,c,22,0.25800000000000001
d67,7,c,22,-0.122,c,29,0.0080000000000000002,7,c,27,-0.091999999999999998
d67,1,c,28,0.0080000000000000002,c,29,0.0080000000000000002,7,c,22,-0.122
d67,7,c,28,0.0080000000000000002,c,27,-0.091999999999999998,7,c,29,0.0080000000000000002
d67,7,c,27,0.0080000000000000002,c,27,-0.091999999999999998,7,c,29,0.0080000000000000002
d67,7,c,22,-0.122,c,28,0.0080000000000000002,7,c,28,0.0080000000000000002
d67,1,c,29,0.0080000000000000002,c,28,0.0080000000000000002,7,c,28,0.0080000000000000002
d67,7,c,22,-0.122,c,22,-0.122,7,c,28,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,28,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,22,-0.122
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,22,-0.122
d67,7,c,22,-0.122,c,22,-0.122,7,c,28,0.0080000000000000002
d67,1,h,3,0.13800000000000001,c,22,-0.122,7,c,22,-0.122
d67,7,c,22,-0.122,c,28,0.0080000000000000002,7,c,28,0.0080000000000000002
d67,1,c,28,0.0080000000000000002,c,28,0.0080000000000000002,7,c,22,-0.122
d67,1,c,28,0.0080000000000000002,c,28,0.0080000000000000002,7,c,22,-0.122
d67,1,c,28,0.0080000000000000002,c,28,0.0080000000000000002,7,c,27,-0.091999999999999998
d67,1,c,22,-0.122,n,38,0.80700000000000005,2,o,40,-0.39200000000000002
d67,1,c,22,-0.122,n,38,0.80700000000000005,2,o,40,-0.39200000000000002
d67,1,c,22,0.25800000000000001,o,45,-0.64300000000000002,1,h,8,0.40799999999999997
d67,1,c,22,-0.122,n,38,0.80700000000000005,2,o,40,-0.39200000000000002
d67,1,c,29,0.0080000000000000002,c,28,0.0080000000000000002,7,c,22,-0.122
d67,1,c,29,0.0080000000000000002,c,28,0.0080000000000000002,7,c,28,0.0080000000000000002
d107,7,c,22,-0.115,c,22,-0.115,7,c,27,0.014999999999999999
d107,1,h,3,0.14499999999999999,c,22,-0.115,7,c,22,-0.115
d107,7,c,22,-0.115,c,27,0.014999999999999999,7,c,27,-0.085000000000000006
d107,7,c,27,0.014999999999999999,c,27,-0.085000000000000006,7,c,28,0.014999999999999999
d107,7,c,27,0.014999999999999999,c,27,-0.085000000000000006,7,c,29,0.014999999999999999
d107,7,c,22,-0.115,c,28,0.014999999999999999,7,c,27,-0.085000000000000006
d107,1,c,28,0.014999999999999999,c,28,0.014999999999999999,7,c,27,-0.085000000000000006
d107,7,c,22,-0.115,c,22,-0.115,7,c,28,0.014999999999999999
d107,1,h,3,0.14499999999999999,c,22,-0.115,7,c,28,0.014999999999999999
d107,1,n,38,0.81599999999999995,c,22,-0.115,7,c,22,-0.115
d107,7,c,22,-0.115,c,22,-0.115,7,c,27,0.014999999999999999
d107,1,n,38,0.81599999999999995,c,22,-0.115,7,c,27,0.014999999999999999
d107,1,n,38,0.81599999999999995,c,22,-0.115,7,c,22,-0.115
d107,7,c,22,-0.115,c,22,-0.115,7,c,29,0.014999999999999999
d107,1,h,3,0.14499999999999999,c,22,-0.115,7,c,22,-0.115
d107,7,c,22,-0.115,c,29,0.014999999999999999,7,c,27,-0.085000000000000006
d107,1,c,28,0.014999999999999999,c,29,0.014999999999999999,7,c,22,-0.115
d107,7,c,28,0.014999999999999999,c,27,-0.085000000000000006,7,c,29,0.014999999999999999
d107,7,c,27,0.014999999999999999,c,27,-0.085000000000000006,7,c,29,0.014999999999999999
d107,7,c,22,-0.115,c,28,0.014999999999999999,7,c,28,0.014999999999999999
d107,1,c,29,0.014999999999999999,c,28,0.014999999999999999,7,c,28,0.014999999999999999
d107,7,c,22,-0.115,c,22,-0.115,7,c,28,0.014999999999999999
d107,1,h,3,0.14599999999999999,c,22,-0.115,7,c,28,0.014999999999999999
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