Id,BondType,ElementType1,Quanta1,Charge1,ElementType2,Quanta2,Charge2
d18,7,c,22,-0.13300000000000001,c,22,0.097000000000000003
d18,7,c,22,0.097000000000000003,c,29,-0.0030000000000000001
d18,7,c,22,-0.13300000000000001,c,29,-0.0030000000000000001
d18,7,c,22,-0.13300000000000001,c,22,0.097000000000000003
d18,7,c,22,-0.13300000000000001,c,29,-0.0030000000000000001
d18,7,c,22,0.097000000000000003,c,29,-0.0030000000000000001
d18,1,c,14,0.54700000000000004,c,22,0.097000000000000003
d18,1,c,14,0.54700000000000004,c,22,0.097000000000000003
d18,2,c,14,0.54700000000000004,o,40,-0.55200000000000005
d18,1,c,22,-0.13300000000000001,n,38,0.79800000000000004
d18,2,n,38,0.79800000000000004,o,40,-0.40300000000000002
d18,2,n,38,0.79800000000000004,o,40,-0.40300000000000002
d18,1,c,22,-0.13300000000000001,h,3,0.127
d18,1,c,22,-0.13300000000000001,h,3,0.127
d18,1,c,22,-0.13300000000000001,h,3,0.127
d18,1,c,22,-0.13300000000000001,h,3,0.127
d18,1,c,22,-0.13300000000000001,h,3,0.127
d18,1,c,22,-0.13300000000000001,h,3,0.127
d18,1,c,22,-0.13300000000000001,h,3,0.127
d26,1,c,22,-0.092999999999999999,h,3,0.16700000000000001
d26,1,c,22,-0.092999999999999999,h,3,0.16700000000000001
d26,1,c,22,-0.092999999999999999,h,3,0.16700000000000001
d26,1,c,22,-0.092999999999999999,cl,93,-0.16300000000000001
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997
d26,1,c,22,-0.092999999999999999,n,38,0.83599999999999997
d26,2,n,38,0.83599999999999997,o,40,-0.36299999999999999
d26,2,n,38,0.83599999999999997,o,40,-0.36299999999999999
d26,2,n,38,0.83599999999999997,o,40,-0.36299999999999999
d26,2,n,38,0.83599999999999997,o,40,-0.36299999999999999
d28,7,c,22,-0.11799999999999999,c,29,0.012
d28,7,c,22,-0.11799999999999999,c,29,0.012
d28,7,c,22,-0.11799999999999999,c,22,0.311
d28,7,c,22,-0.11799999999999999,c,22,0.311
d28,7,c,22,-0.11799999999999999,c,29,0.012
d28,7,c,22,-0.11799999999999999,c,29,0.012
d28,1,c,10,0.012,c,22,-0.11799999999999999
d28,1,c,10,0.012,c,22,-0.11799999999999999
d28,1,c,22,-0.11799999999999999,n,38,0.81100000000000005
d28,2,n,38,0.81100000000000005,o,40,-0.38900000000000001
d28,2,n,38,0.81100000000000005,o,40,-0.38900000000000001
d28,1,c,22,0.311,f,92,-0.28899999999999998
d28,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d28,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d28,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d28,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d28,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d28,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d28,1,c,10,0.012,h,3,0.062
d28,1,c,10,0.012,h,3,0.062
d51,7,c,22,-0.11799999999999999,c,27,0.012
d51,7,c,27,-0.088999999999999996,c,27,0.012
d51,7,c,27,-0.088999999999999996,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012
d51,7,c,27,-0.088999999999999996,c,27,0.012
d51,7,c,27,-0.088999999999999996,c,27,0.012
d51,7,c,22,0.012,c,27,0.012
d51,7,c,22,0.012,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012
d51,7,c,22,-0.11799999999999999,c,27,0.012
d51,1,c,10,-0.088999999999999996,c,22,0.012
d51,1,c,10,-0.088999999999999996,c,22,0.012
d51,1,c,22,-0.11799999999999999,n,38,0.81100000000000005
d51,1,c,22,-0.11799999999999999,n,38,0.81100000000000005
d51,2,n,38,0.81100000000000005,o,40,-0.39000000000000001
d51,2,n,38,0.81100000000000005,o,40,-0.38900000000000001
d51,2,n,38,0.81100000000000005,o,40,-0.38900000000000001
d51,2,n,38,0.81100000000000005,o,40,-0.39000000000000001
d51,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d51,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d51,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d51,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d51,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d51,1,c,22,-0.11799999999999999,h,3,0.14099999999999999
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d51,1,c,10,-0.088999999999999996,h,3,0.062
d63,7,c,21,-0.13400000000000001,c,21,-0.0040000000000000001
d63,7,c,21,-0.13400000000000001,c,21,0.096000000000000002
d63,7,c,21,0.096000000000000002,o,52,-0.034000000000000002
d63,7,c,21,-0.0040000000000000001,o,52,-0.034000000000000002
d63,1,c,21,-0.0040000000000000001,n,38,0.79700000000000004
d63,2,n,38,0.79700000000000004,o,40,-0.40300000000000002
d63,2,n,38,0.79700000000000004,o,40,-0.40300000000000002
d63,1,c,14,0.59699999999999998,c,21,0.096000000000000002
d63,2,c,14,0.59699999999999998,n,32,-0.40400000000000003
d63,1,c,14,0.59699999999999998,n,32,-0.40400000000000003
d63,1,c,14,0.59699999999999998,c,16,-0.20399999999999999
d63,2,c,14,0.59699999999999998,o,40,-0.55300000000000005
d63,7,c,21,-0.13400000000000001,c,21,0.096000000000000002
d63,7,c,21,-0.13400000000000001,c,21,-0.0040000000000000001
d63,7,c,21,-0.13400000000000001,c,21,-0.0040000000000000001
d63,7,c,21,-0.13400000000000001,c,21,0.096000000000000002
d63,1,c,21,-0.0040000000000000001,n,38,0.79700000000000004
d63,2,n,38,0.79700000000000004,o,40,-0.40400000000000003
d63,2,n,38,0.79700000000000004,o,40,-0.40300000000000002
d63,1,c,21,-0.13400000000000001,h,3,0.126
d63,1,c,21,-0.13400000000000001,h,3,0.126
d63,1,c,14,0.59699999999999998,h,3,0.045999999999999999
d63,1,h,1,0.246,n,32,-0.40400000000000003
d63,1,c,16,-0.20399999999999999,h,3,0.096000000000000002
d63,1,c,21,-0.13400000000000001,h,3,0.126
d63,1,c,21,-0.13400000000000001,h,3,0.126
d63,1,c,21,-0.13400000000000001,h,3,0.126
d63,1,c,16,-0.20399999999999999,c,21,0.096000000000000002
d63,1,c,16,-0.20399999999999999,h,3,0.096000000000000002
d67,7,c,22,-0.122,c,27,0.0080000000000000002
d67,7,c,27,-0.091999999999999998,c,27,0.0080000000000000002
d67,7,c,27,-0.091999999999999998,c,28,0.0080000000000000002
d67,7,c,22,-0.122,c,28,0.0080000000000000002
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,7,c,22,-0.122,c,27,0.0080000000000000002
d67,7,c,22,-0.122,c,22,0.25800000000000001
d67,7,c,22,-0.122,c,22,0.25800000000000001
d67,7,c,22,-0.122,c,29,0.0080000000000000002
d67,7,c,27,-0.091999999999999998,c,29,0.0080000000000000002
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,7,c,22,-0.122,c,28,0.0080000000000000002
d67,7,c,22,-0.122,c,28,0.0080000000000000002
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,1,c,22,-0.122,n,38,0.80700000000000005
d67,1,c,22,0.25800000000000001,o,45,-0.64300000000000002
d67,2,n,38,0.80700000000000005,o,40,-0.39200000000000002
d67,2,n,38,0.80700000000000005,o,40,-0.39200000000000002
d67,1,h,8,0.40799999999999997,o,45,-0.64300000000000002
d67,1,c,22,-0.122,h,3,0.13800000000000001
d67,1,c,28,0.0080000000000000002,c,29,0.0080000000000000002
d107,7,c,22,-0.115,c,27,0.014999999999999999
d107,7,c,27,-0.085000000000000006,c,27,0.014999999999999999
d107,7,c,27,-0.085000000000000006,c,28,0.014999999999999999
d107,7,c,22,-0.115,c,28,0.014999999999999999
d107,1,c,22,-0.115,h,3,0.14499999999999999
d107,1,c,22,-0.115,h,3,0.14499999999999999
d107,7,c,22,-0.115,c,27,0.014999999999999999
d107,7,c,22,-0.115,c,29,0.014999999999999999
d107,7,c,27,-0.085000000000000006,c,29,0.014999999999999999
d107,1,c,22,-0.115,h,3,0.14499999999999999
d107,7,c,22,-0.115,c,28,0.014999999999999999
d107,7,c,22,-0.115,c,28,0.014999999999999999
d107,1,c,22,-0.115,h,3,0.14599999999999999
d107,1,c,22,-0.115,h,3,0.14499999999999999
d107,1,c,22,-0.115,h,3,0.14499999999999999
d107,1,c,22,-0.115,h,3,0.14499999999999999
d107,1,c,28,0.014999999999999999,c,29,0.014999999999999999
d107,1,c,22,-0.115,n,38,0.81599999999999995
d107,1,c,22,-0.115,n,38,0.81599999999999995
d107,1,c,22,-0.115,n,38,0.81599999999999995
d107,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d107,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d107,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d107,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d107,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d107,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d127,7,c,22,-0.11600000000000001,c,29,0.014
d127,7,c,22,-0.11600000000000001,c,29,0.014
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,7,c,22,-0.11600000000000001,c,29,0.014
d127,7,c,22,-0.11600000000000001,c,29,0.014
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,1,c,22,-0.11600000000000001,h,3,0.14399999999999999
d127,1,c,22,-0.11600000000000001,n,38,0.81299999999999994
d127,1,c,22,-0.11600000000000001,n,38,0.81299999999999994
d127,1,c,22,-0.11600000000000001,n,38,0.81399999999999995
d127,2,n,38,0.81299999999999994,o,40,-0.38600000000000001
d127,2,n,38,0.81299999999999994,o,40,-0.38600000000000001
d127,2,n,38,0.81399999999999995,o,40,-0.38600000000000001
d127,2,n,38,0.81399999999999995,o,40,-0.38600000000000001
d127,2,n,38,0.81299999999999994,o,40,-0.38600000000000001
d127,2,n,38,0.81299999999999994,o,40,-0.38600000000000001
d137,7,c,22,-0.11799999999999999,c,27,0.012
d137,7,c,27,-0.087999999999999995,c,27,0.012
d137,7,c,27,-0.087999999999999995,c,28,0.012
d137,7,c,22,-0.11799999999999999,c,28,0.012
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,7,c,22,-0.11799999999999999,c,27,0.012
d137,7,c,22,-0.11799999999999999,c,29,0.012
d137,7,c,27,-0.087999999999999995,c,29,0.012
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,7,c,22,-0.11799999999999999,c,28,0.012
d137,7,c,22,-0.11799999999999999,c,28,0.012
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d137,1,c,28,0.012,c,29,0.012
d137,1,c,22,-0.11799999999999999,n,38,0.81200000000000006
d137,1,c,22,-0.11799999999999999,n,38,0.81200000000000006
d137,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d137,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d137,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d137,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d151,7,c,22,-0.115,c,26,0.315
d151,7,c,26,0.115,c,26,0.315
d151,7,c,22,-0.115,c,26,0.115
d151,7,c,26,0.315,n,34,-0.38400000000000001
d151,7,c,21,-0.115,c,26,0.115
d151,7,c,21,-0.115,n,34,-0.38400000000000001
d151,1,c,22,-0.115,n,38,0.81599999999999995
d151,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d151,2,n,38,0.81599999999999995,o,40,-0.38400000000000001
d151,1,c,22,-0.115,h,3,0.14499999999999999
d151,1,c,22,-0.115,h,3,0.115
d151,1,c,22,-0.115,h,3,0.14499999999999999
d151,1,c,21,-0.115,h,3,0.14499999999999999
d151,1,h,1,0.315,n,34,-0.38400000000000001
d174,7,c,22,-0.11799999999999999,c,27,0.012
d174,7,c,27,-0.087999999999999995,c,27,0.012
d174,7,c,27,-0.087999999999999995,c,28,0.012
d174,7,c,22,-0.11799999999999999,c,28,0.012
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,7,c,22,-0.11799999999999999,c,27,0.012
d174,7,c,22,-0.11799999999999999,c,29,0.012
d174,7,c,27,-0.087999999999999995,c,29,0.012
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,7,c,22,-0.11799999999999999,c,28,0.012
d174,7,c,22,-0.11799999999999999,c,28,0.012
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,1,c,22,-0.11799999999999999,h,3,0.14199999999999999
d174,1,c,28,0.012,c,29,0.012
d174,1,c,22,-0.11799999999999999,n,38,0.81200000000000006
d174,1,c,22,-0.11799999999999999,n,38,0.81200000000000006
d174,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d174,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d174,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d174,2,n,38,0.81200000000000006,o,40,-0.38800000000000001
d178,7,c,22,-0.152,c,22,0.17699999999999999
d178,7,c,22,0.078,c,22,0.17699999999999999
d178,7,c,22,-0.152,c,22,0.078
d178,1,c,22,-0.152,h,3,0.108
d178,1,c,22,-0.152,h,3,0.108
d178,1,c,22,-0.152,h,3,0.108
d178,1,c,22,0.17699999999999999,n,32,-0.42299999999999999
d178,1,c,14,0.57699999999999996,c,22,0.078
d178,2,c,14,0.57699999999999996,n,32,-0.42299999999999999
d178,1,c,14,0.57699999999999996,h,3,0.028000000000000001
d178,1,h,1,0.27700000000000002,n,32,-0.42299999999999999
d178,1,c,10,-0.021999999999999999,n,32,-0.42299999999999999
d178,1,c,10,-0.021999999999999999,h,3,0.028000000000000001
d178,1,c,10,-0.021999999999999999,h,3,0.028000000000000001
d178,1,c,10,-0.021999999999999999,h,3,0.028000000000000001
d178,1,c,22,-0.152,n,38,0.77700000000000002
d178,2,n,38,0.77700000000000002,o,40,-0.42299999999999999
d178,2,n,38,0.77700000000000002,o,40,-0.42299999999999999
d85,7,c,22,-0.112,c,27,-0.082000000000000003
d85,7,c,27,-0.082000000000000003,c,27,0.017999999999999999
d85,7,c,22,-0.112,c,27,0.017999999999999999
d85,7,c,26,-0.082000000000000003,c,27,-0.082000000000000003
d85,7,c,22,-0.112,c,26,-0.082000000000000003
d85,7,c,22,-0.112,c,27,0.017999999999999999
d85,7,c,22,-0.112,c,27,-0.082000000000000003
d85,7,c,22,-0.112,c,27,0.017999999999999999
d85,7,c,27,-0.082000000000000003,c,27,0.017999999999999999
d85,7,c,22,-0.112,c,27,0.017999999999999999
d85,7,c,22,-0.112,c,27,-0.082000000000000003
d85,7,c,21,0.017999999999999999,c,26,-0.082000000000000003
d85,7,c,21,-0.112,c,21,0.017999999999999999
d85,7,c,21,-0.112,c,27,-0.082000000000000003
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14799999999999999
d85,1,c,22,-0.112,h,3,0.14799999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,22,-0.112,h,3,0.14699999999999999
d85,1,c,21,-0.112,h,3,0.14699999999999999
d85,1,c,21,0.017999999999999999,n,38,0.81699999999999995
d85,2,n,38,0.81699999999999995,o,40,-0.38300000000000001
d85,2,n,38,0.81699999999999995,o,40,-0.38300000000000001
d92,7,c,22,-0.126,c,22,0.0040000000000000001
d92,7,c,22,0.0040000000000000001,c,29,0.0040000000000000001
d92,7,c,22,0.0040000000000000001,c,29,0.0040000000000000001
d92,7,c,22,-0.126,c,22,0.0040000000000000001
d92,1,c,10,-0.096000000000000002,c,22,0.0040000000000000001
d92,1,c,10,-0.096000000000000002,c,22,0.0040000000000000001
d92,7,c,22,0.0040000000000000001,c,29,0.0040000000000000001
d92,7,c,22,0.0040000000000000001,c,29,0.0040000000000000001
d92,1,c,10,-0.096000000000000002,c,22,0.0040000000000000001
d92,1,c,10,-0.096000000000000002,c,22,0.0040000000000000001
d92,7,c,22,-0.126,c,22,0.0040000000000000001
d92,7,c,22,-0.126,c,22,0.0040000000000000001
d92,1,c,22,-0.126,n,38,0.80500000000000005
d92,2,n,38,0.80500000000000005,o,40,-0.39500000000000002
d92,2,n,38,0.80500000000000005,o,40,-0.39600000000000002
d92,1,c,22,-0.126,h,3,0.13400000000000001
d92,1,c,22,-0.126,h,3,0.13400000000000001
d92,1,c,22,-0.126,h,3,0.13400000000000001
d92,1,c,22,-0.126,h,3,0.13400000000000001
d92,1,c,22,-0.126,h,3,0.13400000000000001
d92,1,c,10,-0.096000000000000002,h,3,0.053999999999999999
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