REMARK Name = BDB013700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.310 0.157 -0.071 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.387 -0.845 -0.292 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.705 -0.423 -0.164 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.760 -1.321 -0.382 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -4.491 -2.648 -0.714 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.171 -3.082 -0.819 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.986 0.967 0.229 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -5.152 1.349 0.299 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -2.882 1.759 0.513 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -3.068 3.144 0.903 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -2.119 -2.186 -0.605 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -1.583 1.369 0.323 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.005 -0.210 -0.298 0.00 0.00 -0.326 N ATOM 14 H LIG 1 0.153 -0.906 -1.018 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.093 0.769 -0.210 0.00 0.00 +0.121 C BRANCH 15 16 ATOM 16 C LIG 1 2.494 0.093 -0.394 0.00 0.00 +0.073 C BRANCH 16 17 ATOM 17 N LIG 1 3.048 -0.569 0.823 0.00 0.00 -0.304 NA ATOM 18 C LIG 1 4.226 -1.388 0.516 0.00 0.00 +0.104 C ATOM 19 C LIG 1 2.070 -1.391 1.540 0.00 0.00 +0.104 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 3.833 2.268 0.028 0.00 0.00 +0.005 C ATOM 21 C LIG 1 3.477 1.158 -0.953 0.00 0.00 +0.017 C ENDBRANCH 16 21 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 5