4 GEOMETRY FILE / created by CPMD N 4.512610601208 4.382827498748 3.968839962699 0.000209320737 -0.000038428781 0.000000448825 N 3.425055053697 4.382818055853 3.968833857535 -0.000209086596 -0.000039067782 -0.000000003143 H 5.623075465051 4.384135640771 3.968836499373 -0.000055669128 0.000016939013 -0.000000086594 H 2.314588763532 4.384135944450 3.968830802577 0.000055327258 0.000017304356 0.000000036643