NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.5999 8.5445 117.8569 55.5348 29.2971 172.6036 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 2 H 8.54 4.60 0.00 3.10 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00