NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 I 4.1440 8.0249 121.4506 60.2141 38.6445 175.3195 1003 P 4.2402 0.0000 0.0000 62.1722 31.1207 176.3119 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 1002 I 8.02 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.91 0.00 0.00 1003 P 0.00 4.24 0.00 2.12 1.97 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00