4.62006,2.00646,.00046,"C",1
6.096956,2.264841,.3004664,"C",1
7.108601,1.331347,-.3262227,"C",1
4.000354,.9840788,.956037,"C",1
3.975514,-1.342744,1.673016,"C",1
2.52422,-1.849536,1.473553,"C",1
2.243757,-2.407166,.1016965,"C",1
1.648946,-1.613477,-.8767126,"C",1
1.368096,-2.126499,-2.139413,"C",1
1.713713,-3.430875,-2.450226,"C",1
2.315375,-4.231139,-1.488911,"C",1
2.571447,-3.730635,-.2236316,"C",1
4.98425,-2.459483,1.508517,"C",1
5.774844,-4.483263,2.439961,"C",1
3.876717,3.278842,.1809455,"N",1
4.330906,-.2918872,.7289722,"N",1
3.273782,1.34483,1.874882,"O",1
5.738459,-2.566759,.5677084,"O",1
4.901695,-3.321711,2.518612,"O",1
8.499817,-1.243331,-1.697606,"O",1
7.991189,-3.671916,-.7488375,"O",1
6.59199,.3143828,-.999429,"O",1
8.298656,1.519361,-.2092093,"O",1
7.236964,-.1716612,-1.305824,"H",1
8.340858,-2.001249,-1.436237,"H",1
8.708084,-1.169685,-2.451371,"H",1
8.626707,-3.857674,-.2331866,"H",1
7.317279,-3.518696,-.2946194,"H",1
3.000706,3.185125,-2.888864E-02,"H",1
4.167637,3.917228,-.3675497,"H",1
3.87127,3.614785,1.081484,"H",1