REMARK Name = BDB013698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.337 0.372 -0.216 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.380 -0.676 -0.372 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.663 -0.388 0.074 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.682 -1.347 -0.030 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -4.412 -2.593 -0.596 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.131 -2.879 -1.064 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.953 0.940 0.638 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -5.079 1.178 1.070 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -2.908 1.854 0.628 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -3.106 3.183 1.174 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -2.116 -1.924 -0.957 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -1.627 1.557 0.246 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.034 0.080 -0.566 0.00 0.00 -0.326 N ATOM 14 H LIG 1 0.266 -0.891 -0.486 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.075 0.962 -0.209 0.00 0.00 +0.121 C BRANCH 15 16 ATOM 16 C LIG 1 2.414 0.297 -0.649 0.00 0.00 +0.073 C BRANCH 16 17 ATOM 17 N LIG 1 2.470 -1.128 -0.204 0.00 0.00 -0.304 NA ATOM 18 C LIG 1 3.423 -1.913 -0.991 0.00 0.00 +0.104 C ATOM 19 C LIG 1 2.719 -1.317 1.222 0.00 0.00 +0.104 C ENDBRANCH 16 17 BRANCH 16 21 ATOM 20 C LIG 1 3.701 1.861 1.016 0.00 0.00 +0.005 C ATOM 21 C LIG 1 3.642 1.191 -0.351 0.00 0.00 +0.017 C ENDBRANCH 16 21 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 5