NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B G 3.9005 8.3544 109.7364 44.9052 0.0000 173.5678 1A L 3.9313 8.2678 117.6398 54.3219 42.0505 176.5134 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 1B G 8.35 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A L 8.27 3.93 0.00 1.70 1.56 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00