REMARK Name = BDB056458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.527 -1.185 0.712 0.00 0.00 -0.304 N ATOM 2 H LIG 1 -1.072 -1.932 0.198 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -0.697 -0.271 1.324 0.00 0.00 +0.214 C ATOM 4 O LIG 1 -1.025 0.389 2.304 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -2.803 -1.539 1.333 0.00 0.00 +0.163 C BRANCH 5 9 ATOM 6 N LIG 1 -3.345 -2.800 3.377 0.00 0.00 -0.328 N ATOM 7 H LIG 1 -3.728 -1.951 3.775 0.00 0.00 +0.145 HD ATOM 8 H LIG 1 -3.085 -3.519 4.042 0.00 0.00 +0.145 HD ATOM 9 C LIG 1 -2.536 -2.719 2.278 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -1.700 -3.591 2.050 0.00 0.00 -0.274 OA ENDBRANCH 5 9 BRANCH 5 11 ATOM 11 C LIG 1 -3.854 -1.973 0.302 0.00 0.00 +0.067 C BRANCH 11 12 ATOM 12 C LIG 1 -4.310 -0.840 -0.588 0.00 0.00 -0.045 A ATOM 13 C LIG 1 -5.256 0.087 -0.128 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -5.666 1.142 -0.945 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -5.136 1.281 -2.226 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.194 0.366 -2.692 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.782 -0.690 -1.877 0.00 0.00 +0.004 A ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 1 5 BRANCH 3 18 ATOM 18 C LIG 1 0.648 -0.148 0.641 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 C LIG 1 1.555 0.846 1.355 0.00 0.00 +0.083 C BRANCH 19 20 ATOM 20 C LIG 1 2.772 1.116 0.510 0.00 0.00 +0.111 A ATOM 21 N LIG 1 2.664 2.146 -0.385 0.00 0.00 -0.310 N ATOM 22 H LIG 1 1.826 2.708 -0.437 0.00 0.00 +0.170 HD ATOM 23 C LIG 1 3.675 2.509 -1.238 0.00 0.00 +0.259 A ATOM 24 O LIG 1 3.560 3.440 -2.025 0.00 0.00 -0.267 OA ATOM 25 C LIG 1 4.904 1.703 -1.145 0.00 0.00 +0.065 A ATOM 26 C LIG 1 4.922 0.664 -0.210 0.00 0.00 +0.078 A ATOM 27 C LIG 1 6.075 -0.115 -0.102 0.00 0.00 +0.028 A ATOM 28 C LIG 1 7.186 0.141 -0.913 0.00 0.00 +0.002 A ATOM 29 C LIG 1 7.152 1.183 -1.842 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.007 1.970 -1.962 0.00 0.00 +0.015 A ATOM 31 N LIG 1 3.826 0.376 0.621 0.00 0.00 -0.234 NA ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 3 18 TORSDOF 7