NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 M 4.2627 8.4045 120.3265 55.0376 32.5518 174.8036 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 71 M 8.40 4.26 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00