REMARK Name = BDB013699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.324 0.342 0.121 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.382 -0.674 -0.122 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.596 -0.238 -0.638 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.623 -1.155 -0.905 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -4.434 -2.511 -0.642 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.225 -2.951 -0.105 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.805 1.198 -0.883 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -4.865 1.576 -1.378 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -2.766 2.042 -0.515 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -2.886 3.471 -0.731 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -2.201 -2.037 0.159 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -1.547 1.614 -0.063 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.079 -0.074 0.546 0.00 0.00 -0.326 N ATOM 14 H LIG 1 0.225 -1.009 0.276 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.072 0.824 0.563 0.00 0.00 +0.121 C BRANCH 15 16 ATOM 16 C LIG 1 2.354 0.009 0.917 0.00 0.00 +0.073 C BRANCH 16 17 ATOM 17 N LIG 1 2.367 -1.288 0.170 0.00 0.00 -0.304 NA ATOM 18 C LIG 1 2.686 -1.150 -1.252 0.00 0.00 +0.104 C ATOM 19 C LIG 1 3.257 -2.269 0.794 0.00 0.00 +0.104 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 3.664 2.077 1.680 0.00 0.00 +0.005 C ATOM 21 C LIG 1 3.631 0.865 0.756 0.00 0.00 +0.017 C ENDBRANCH 16 21 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 5