NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 M 4.2189 8.4045 120.3487 55.1788 32.5426 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 4.22 0.00 1.99 2.02 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 2.48 2.54 0.00