REMARK Name = BDB005600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.673 0.699 0.069 0.00 0.00 -0.031 A ATOM 2 C LIG 1 0.015 -0.322 0.738 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.390 -0.489 0.548 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.121 0.367 -0.288 0.00 0.00 +0.020 A ATOM 5 C LIG 1 3.581 0.147 -0.430 0.00 0.00 +0.045 A ATOM 6 N LIG 1 4.341 1.044 -1.178 0.00 0.00 -0.343 N ATOM 7 H LIG 1 3.965 1.988 -1.170 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 5.799 1.015 -1.118 0.00 0.00 +0.102 C ATOM 9 C LIG 1 6.277 -0.431 -1.104 0.00 0.00 +0.023 C ATOM 10 C LIG 1 5.623 -1.208 0.043 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.153 -0.912 0.179 0.00 0.00 +0.038 A ATOM 12 C LIG 1 3.362 -1.830 1.043 0.00 0.00 +0.254 A ATOM 13 O LIG 1 3.877 -2.789 1.611 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.423 1.377 -0.966 0.00 0.00 +0.012 A ATOM 15 N LIG 1 2.036 -1.547 1.194 0.00 0.00 -0.322 N ATOM 16 H LIG 1 1.513 -2.182 1.781 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 0.044 1.545 -0.785 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -2.162 0.889 0.278 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 -2.943 -0.326 -0.002 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 -2.967 -0.644 -1.430 0.00 0.00 +0.105 C BRANCH 19 21 ATOM 21 C LIG 1 -4.299 -0.254 0.571 0.00 0.00 +0.112 C BRANCH 21 22 ATOM 22 C LIG 1 -5.259 0.807 -0.001 0.00 0.00 +0.174 C BRANCH 22 24 ATOM 23 C LIG 1 -7.391 -0.158 0.444 0.00 0.00 +0.194 C ATOM 24 O LIG 1 -6.476 0.885 0.748 0.00 0.00 -0.382 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 5