REMARK Name = BDB027805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.512 -0.967 0.163 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.024 -2.250 0.467 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.419 -2.414 0.386 0.00 0.00 +0.091 A ATOM 4 C LIG 1 1.915 -3.679 0.665 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.184 -4.767 1.022 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.141 -4.578 1.116 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.263 -1.416 0.069 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.759 -0.185 -0.170 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -0.756 -3.365 0.856 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.391 0.067 -0.110 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.756 0.859 -0.481 0.00 0.00 +0.003 A ATOM 12 C LIG 1 2.483 1.921 -1.356 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.466 2.869 -1.602 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.694 2.840 -1.048 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 4.954 1.810 -0.218 0.00 0.00 +0.111 A ATOM 16 C LIG 1 4.037 0.816 0.087 0.00 0.00 +0.030 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.900 -0.750 0.254 0.00 0.00 -0.341 N ATOM 18 H LIG 1 -2.416 -1.564 -0.072 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.541 0.515 -0.130 0.00 0.00 +0.067 C ATOM 20 C LIG 1 -3.972 0.209 -0.590 0.00 0.00 +0.028 C BRANCH 19 22 ATOM 21 C LIG 1 -3.012 2.876 0.733 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -2.538 1.471 1.077 0.00 0.00 +0.018 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 4