NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 L 4.1227 8.2845 120.6284 54.4437 42.2176 176.1036 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 18 L 8.28 4.12 0.00 1.65 1.65 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00