REMARK Name = BDB008175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.292 0.033 -0.207 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.004 0.766 0.434 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.153 -0.154 -0.124 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.512 -1.033 -0.483 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.612 1.825 0.927 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.498 0.365 0.415 0.00 0.00 +0.161 C BRANCH 6 9 ATOM 7 C LIG 1 5.069 3.643 -0.653 0.00 0.00 +0.109 C ATOM 8 C LIG 1 4.415 2.298 -0.807 0.00 0.00 +0.211 C ATOM 9 N LIG 1 4.260 1.617 0.379 0.00 0.00 -0.304 N ATOM 10 H LIG 1 4.181 2.198 1.206 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 4.023 1.874 -1.890 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 3.889 -0.474 1.655 0.00 0.00 +0.012 C ATOM 13 C LIG 1 5.391 -0.790 1.650 0.00 0.00 +0.009 C ATOM 14 C LIG 1 3.111 -1.790 1.752 0.00 0.00 +0.009 C ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -0.942 -1.341 0.058 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -2.291 -1.288 0.346 0.00 0.00 -0.302 N ATOM 17 H LIG 1 -2.787 -0.465 0.020 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -0.309 -2.395 -0.002 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -3.097 -2.512 0.362 0.00 0.00 +0.164 C BRANCH 19 20 ATOM 20 C LIG 1 -3.675 -2.631 -1.066 0.00 0.00 +0.231 C ATOM 21 O LIG 1 -3.966 -1.654 -1.753 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 -3.885 -3.896 -1.533 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -3.357 -4.674 -1.159 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -4.160 -3.962 -2.506 0.00 0.00 +0.145 HD ENDBRANCH 19 20 BRANCH 19 25 ATOM 25 C LIG 1 -4.184 -2.490 1.479 0.00 0.00 -0.011 C ATOM 26 C LIG 1 -5.184 -1.331 1.304 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -3.496 -2.337 2.853 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -4.971 -3.815 1.497 0.00 0.00 +0.013 C ENDBRANCH 19 25 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 29 ATOM 29 C LIG 1 -0.695 0.560 -1.594 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 -1.526 1.852 -1.565 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 -0.836 3.062 -0.931 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 0.488 3.251 -1.469 0.00 0.00 -0.356 N ATOM 33 H LIG 1 1.234 3.139 -0.785 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 0.826 3.868 -2.615 0.00 0.00 +0.188 C ATOM 35 N LIG 1 0.049 4.367 -3.504 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 -0.918 4.239 -3.209 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 2.159 3.921 -2.794 0.00 0.00 -0.370 N ATOM 38 H LIG 1 2.358 4.235 -3.738 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 2.627 3.030 -2.626 0.00 0.00 +0.159 HD ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 14