NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.5673 8.5445 116.3418 55.2034 29.0000 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 4.57 0.00 3.29 3.34 0.00 5.53 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