@relation Mutagenesis
@attribute id {d1,d10,d100,d101,d102,d103,d104,d105,d106,d107,d108,d109,d11,d110,d111,d112,d113,d114,d115,d116,d117,d118,d119,d12,d120,d121,d122,d123,d124,d125,d126,d127,d128,d129,d13,d130,d131,d132,d133,d134,d135,d136,d137,d138,d139,d14,d140,d141,d142,d143,d144,d145,d146,d147,d148,d149,d15,d150,d151,d152,d153,d154,d155,d156,d157,d158,d159,d16,d160,d161,d162,d163,d164,d165,d166,d167,d168,d169,d17,d170,d171,d172,d173,d174,d175,d176,d177,d178,d179,d18,d180,d181,d182,d183,d184,d185,d186,d187,d188,d189,d19,d190,d191,d192,d193,d194,d195,d196,d197,d2,d20,d21,d22,d23,d24,d25,d26,d27,d28,d29,d3,d30,d31,d32,d33,d34,d35,d36,d37,d38,d39,d4,d40,d41,d42,d43,d44,d45,d46,d47,d48,d49,d5,d50,d51,d52,d53,d54,d55,d56,d57,d58,d59,d6,d60,d61,d62,d63,d64,d65,d66,d67,d68,d69,d7,d70,d71,d72,d73,d74,d75,d76,d77,d78,d79,d8,d80,d81,d82,d83,d84,d85,d86,d87,d88,d89,d9,d90,d91,d92,d93,d94,d95,d96,d97,d98,d99,e1,e10,e11,e12,e13,e14,e15,e16,e17,e18,e19,e2,e20,e21,e22,e23,e24,e25,e26,e27,e3,e4,e5,e6,e7,e8,e9,f1,f2,f3,f4,f5,f6,}
@attribute element1 {br,c,cl,f,h,i,n,o,s,}
@attribute quanta1 {1,3,8,10,14,16,19,21,22,25,26,27,28,29,31,32,34,35,36,38,40,41,42,45,49,50,51,52,72,92,93,94,95,194,195,230,232,}
@attribute charge1 numeric
@attribute bondtype {1,2,3,4,5,7,}
@attribute element2 {br,c,cl,f,h,i,n,o,s,}
@attribute quanta2 {1,3,8,10,14,16,19,21,22,25,26,27,28,29,31,32,34,35,36,38,40,41,42,45,49,50,51,52,72,92,93,94,95,194,195,230,232,}
@attribute charge2 numeric
@attribute class {0,1}
@data
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,195,-0.087,1
d1,c,195,-0.087,7,c,22,-0.117,1
d1,c,195,-0.087,7,c,195,0.013,1
d1,c,195,0.013,7,c,195,-0.087,1
d1,c,195,0.013,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,195,0.013,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.142,1
d1,h,3,0.142,1,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.143,1
d1,h,3,0.143,1,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.142,1
d1,h,3,0.142,1,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.142,1
d1,h,3,0.142,1,c,22,-0.117,1
d1,c,195,-0.087,7,c,27,-0.087,1
d1,c,27,-0.087,7,c,195,-0.087,1
d1,c,27,-0.087,7,c,27,0.013,1
d1,c,27,0.013,7,c,27,-0.087,1
d1,c,27,0.013,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,27,0.013,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,195,0.013,1
d1,c,195,0.013,7,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.143,1
d1,h,3,0.143,1,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.143,1
d1,h,3,0.143,1,c,22,-0.117,1
d1,c,27,-0.087,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,27,-0.087,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,22,-0.117,1
d1,c,22,-0.117,7,c,27,0.013,1
d1,c,27,0.013,7,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.142,1
d1,h,3,0.142,1,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.143,1
d1,h,3,0.143,1,c,22,-0.117,1
d1,c,22,-0.117,1,h,3,0.142,1
d1,h,3,0.142,1,c,22,-0.117,1
d1,n,38,0.812,1,c,22,-0.117,1
d1,c,22,-0.117,1,n,38,0.812,1
d1,n,38,0.812,2,o,40,-0.388,1
d1,o,40,-0.388,2,n,38,0.812,1
d1,n,38,0.812,2,o,40,-0.388,1
d1,o,40,-0.388,2,n,38,0.812,1
d10,c,22,-0.119,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,29,0.011,1
d10,c,29,0.011,7,c,22,-0.119,1
d10,c,29,0.011,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,29,0.011,1
d10,c,22,-0.119,7,c,22,-0.118,1
d10,c,22,-0.118,7,c,22,-0.119,1
d10,c,22,-0.118,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.118,1
d10,c,22,-0.119,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.168,1
d10,c,22,-0.168,7,c,22,-0.119,1
d10,c,22,-0.168,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,22,-0.168,1
d10,c,22,-0.119,7,c,22,-0.118,1
d10,c,22,-0.118,7,c,22,-0.119,1
d10,c,22,-0.118,7,c,29,0.011,1
d10,c,29,0.011,7,c,22,-0.118,1
d10,c,29,0.011,7,c,22,-0.119,1
d10,c,22,-0.119,7,c,29,0.011,1
d10,c,29,0.011,1,c,29,0.011,1
d10,c,29,0.011,1,c,29,0.011,1
d10,c,22,-0.119,1,c,10,0.011,1
d10,c,10,0.011,1,c,22,-0.119,1
d10,c,10,0.011,1,c,22,-0.119,1
d10,c,22,-0.119,1,c,10,0.011,1
d10,c,22,-0.119,1,n,38,0.812,1
d10,n,38,0.812,1,c,22,-0.119,1
d10,n,38,0.812,2,o,40,-0.388,1
d10,o,40,-0.388,2,n,38,0.812,1
d10,n,38,0.812,2,o,40,-0.388,1
d10,o,40,-0.388,2,n,38,0.812,1
d10,c,22,-0.168,1,c,10,0.011,1
d10,c,10,0.011,1,c,22,-0.168,1
d10,c,22,-0.119,1,h,3,0.142,1
d10,h,3,0.142,1,c,22,-0.119,1
d10,c,22,-0.119,1,h,3,0.142,1
d10,h,3,0.142,1,c,22,-0.119,1
d10,c,22,-0.118,1,h,3,0.142,1
d10,h,3,0.142,1,c,22,-0.118,1
d10,c,22,-0.119,1,h,3,0.142,1
d10,h,3,0.142,1,c,22,-0.119,1
d10,c,22,-0.119,1,h,3,0.142,1
d10,h,3,0.142,1,c,22,-0.119,1
d10,c,22,-0.118,1,h,3,0.142,1
d10,h,3,0.142,1,c,22,-0.118,1
d10,c,10,0.011,1,h,3,0.061,1
d10,h,3,0.061,1,c,10,0.011,1
d10,c,10,0.011,1,h,3,0.061,1
d10,h,3,0.061,1,c,10,0.011,1
d10,c,10,0.011,1,h,3,0.061,1
d10,h,3,0.061,1,c,10,0.011,1
d10,c,10,0.011,1,h,3,0.061,1
d10,h,3,0.061,1,c,10,0.011,1
d10,c,10,0.011,1,h,3,0.061,1
d10,h,3,0.061,1,c,10,0.011,1
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,29,0.002,0
d100,c,29,0.002,7,c,22,-0.128,0
d100,c,29,0.002,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,29,0.002,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,29,0.002,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,29,0.002,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,0.202,0
d100,c,22,0.202,7,c,22,-0.128,0
d100,c,22,0.202,7,c,22,-0.128,0
d100,c,22,-0.128,7,c,22,0.202,0
d100,c,22,-0.128,7,c,29,0.002,0
d100,c,29,0.002,7,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,22,-0.128,1,h,3,0.132,0
d100,h,3,0.132,1,c,22,-0.128,0
d100,c,29,0.002,1,c,29,0.002,0
d100,c,29,0.002,1,c,29,0.002,0
d100,c,22,0.202,1,n,32,-0.779,0
d100,n,32,-0.779,1,c,22,0.202,0
d100,c,22,-0.128,1,n,38,0.801,0
d100,n,38,0.801,1,c,22,-0.128,0
d100,n,38,0.801,2,o,40,-0.398,0
d100,o,40,-0.398,2,n,38,0.801,0
d100,n,38,0.801,2,o,40,-0.398,0
d100,o,40,-0.398,2,n,38,0.801,0
d100,n,32,-0.779,1,h,1,0.332,0
d100,h,1,0.332,1,n,32,-0.779,0
d100,n,32,-0.779,1,h,1,0.332,0
d100,h,1,0.332,1,n,32,-0.779,0
d101,c,22,-0.121,7,c,22,-0.121,1
d101,c,22,-0.121,7,c,22,-0.121,1
d101,c,22,-0.121,7,c,27,0.009,1
d101,c,27,0.009,7,c,22,-0.121,1
d101,c,27,0.009,7,c,27,-0.091,1
d101,c,27,-0.091,7,c,27,0.009,1
d101,c,27,-0.091,7,c,27,0.009,1
d101,c,27,0.009,7,c,27,-0.091,1
d101,c,27,0.009,7,c,22,-0.122,1
d101,c,22,-0.122,7,c,27,0.009,1
d101,c,22,-0.122,7,c,22,-0.121,1
d101,c,22,-0.121,7,c,22,-0.122,1
d101,c,27,0.009,7,c,22,-0.121,1
d101,c,22,-0.121,7,c,27,0.009,1
d101,c,22,-0.121,7,c,22,-0.121,1
d101,c,22,-0.121,7,c,22,-0.121,1
d101,c,22,-0.121,7,c,27,0.009,1
d101,c,27,0.009,7,c,22,-0.121,1
d101,c,27,0.009,7,c,27,-0.091,1
d101,c,27,-0.091,7,c,27,0.009,1
d101,c,27,-0.091,7,c,27,-0.091,1
d101,c,27,-0.091,7,c,27,-0.091,1
d101,c,27,-0.091,7,c,27,0.009,1
d101,c,27,0.009,7,c,27,-0.091,1
d101,c,27,0.009,7,c,22,0.009,1
d101,c,22,0.009,7,c,27,0.009,1
d101,c,22,0.009,7,c,22,0.009,1
d101,c,22,0.009,7,c,22,0.009,1
d101,c,22,0.009,7,c,27,0.009,1
d101,c,27,0.009,7,c,22,0.009,1
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d101,c,22,-0.121,7,c,27,0.009,1
d101,c,22,-0.121,7,c,22,-0.121,1
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d101,c,22,-0.121,7,c,22,-0.122,1
d101,c,22,-0.122,7,c,22,-0.121,1
d101,c,22,-0.122,7,c,27,0.009,1
d101,c,27,0.009,7,c,22,-0.122,1
d101,c,22,0.009,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,22,0.009,1
d101,c,10,-0.091,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,10,-0.091,1
d101,c,10,-0.091,1,c,22,0.009,1
d101,c,22,0.009,1,c,10,-0.091,1
d101,c,22,-0.121,1,n,38,0.808,1
d101,n,38,0.808,1,c,22,-0.121,1
d101,n,38,0.808,2,o,40,-0.392,1
d101,o,40,-0.392,2,n,38,0.808,1
d101,n,38,0.808,2,o,40,-0.392,1
d101,o,40,-0.392,2,n,38,0.808,1
d101,c,22,-0.121,1,h,3,0.138,1
d101,h,3,0.138,1,c,22,-0.121,1
d101,c,22,-0.121,1,h,3,0.138,1
d101,h,3,0.138,1,c,22,-0.121,1
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d101,h,3,0.138,1,c,22,-0.122,1
d101,c,22,-0.121,1,h,3,0.138,1
d101,h,3,0.138,1,c,22,-0.121,1
d101,c,22,-0.121,1,h,3,0.138,1
d101,h,3,0.138,1,c,22,-0.121,1
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d101,h,3,0.138,1,c,22,-0.122,1
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d101,c,10,-0.091,1,h,3,0.059,1
d101,h,3,0.059,1,c,10,-0.091,1
d101,c,10,-0.091,1,h,3,0.059,1
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d101,c,10,-0.091,1,h,3,0.059,1
d101,h,3,0.059,1,c,10,-0.091,1
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d102,c,22,0.111,7,c,29,0.011,1
d102,c,29,0.011,7,c,22,0.111,1
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d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,1,h,3,0.141,1
d102,h,3,0.141,1,c,22,-0.119,1
d102,c,22,-0.119,1,h,3,0.141,1
d102,h,3,0.141,1,c,22,-0.119,1
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d102,c,22,-0.119,7,c,22,0.111,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,22,-0.119,1
d102,c,22,-0.119,7,c,29,0.011,1
d102,c,29,0.011,7,c,22,-0.119,1
d102,c,29,0.011,7,c,22,0.111,1
d102,c,22,0.111,7,c,29,0.011,1
d102,c,22,-0.119,1,h,3,0.141,1
d102,h,3,0.141,1,c,22,-0.119,1
d102,c,22,-0.119,1,h,3,0.141,1
d102,h,3,0.141,1,c,22,-0.119,1
d102,c,29,0.011,1,c,29,0.011,1
d102,c,29,0.011,1,c,29,0.011,1
d102,c,22,0.111,1,c,14,0.56,1
d102,c,14,0.56,1,c,22,0.111,1
d102,c,14,0.56,1,c,22,0.111,1
d102,c,22,0.111,1,c,14,0.56,1
d102,c,14,0.56,2,o,40,-0.54,1
d102,o,40,-0.54,2,c,14,0.56,1
d102,c,22,-0.119,1,n,38,0.81,1
d102,n,38,0.81,1,c,22,-0.119,1
d102,c,22,-0.119,1,n,38,0.81,1
d102,n,38,0.81,1,c,22,-0.119,1
d102,c,22,-0.119,1,n,38,0.81,1
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