NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B G 3.8981 8.3544 109.7364 44.9964 0.0000 173.5678 1A L 3.9395 8.2626 117.7121 54.3008 42.0700 176.5001 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 8.26 3.94 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