REMARK Name = BDB010465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.029 -3.441 1.510 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.797 -2.632 2.164 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 0.963 -1.437 1.581 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.804 -0.474 2.053 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.777 0.480 1.153 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.789 0.244 0.210 0.00 0.00 -0.307 N ATOM 7 C LIG 1 0.314 -1.034 0.427 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -0.569 -1.913 -0.189 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -0.686 -3.135 0.380 0.00 0.00 -0.198 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.561 1.596 1.148 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.687 1.700 0.158 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.966 2.318 0.793 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.376 1.730 2.035 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.288 1.481 2.939 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.945 2.073 2.497 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 4.014 0.426 -0.622 0.00 0.00 -0.025 A ATOM 17 C LIG 1 4.518 -0.724 0.006 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.801 -1.876 -0.729 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.596 -1.896 -2.106 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.109 -0.762 -2.750 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.823 0.391 -2.015 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 23 ATOM 22 C LIG 1 0.868 -5.344 2.627 0.00 0.00 +0.128 C ATOM 23 N LIG 1 -0.273 -4.728 1.986 0.00 0.00 -0.316 N ATOM 24 H LIG 1 -0.653 -5.237 1.195 0.00 0.00 +0.149 HD ENDBRANCH 1 23 BRANCH 8 25 ATOM 25 N LIG 1 -1.300 -1.606 -1.333 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.607 -0.644 -1.351 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.326 -2.555 -1.776 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -2.583 -2.277 -3.260 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -3.596 -2.445 -0.922 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.480 -1.164 -0.955 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.690 -2.083 -0.686 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.879 -3.226 -1.331 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 6 33 ATOM 33 C LIG 1 0.385 1.159 -0.836 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -0.668 2.229 -0.466 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.157 3.278 0.526 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.124 4.462 0.643 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.612 4.067 0.633 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.293 4.466 -0.680 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.803 2.578 0.931 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.018 1.652 -0.002 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8