NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3962 8.1693 122.4968 54.9332 44.2025 176.4597 3 W 4.2336 7.6713 117.0235 56.1916 27.3879 173.9469 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 L 8.17 4.40 0.00 1.70 1.96 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.67 4.23 0.00 3.66 2.98 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