REMARK Name = BDB060329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.292 2.104 1.354 0.00 0.00 +0.080 C ATOM 2 C LIG 1 -0.014 1.775 2.827 0.00 0.00 +0.028 C ATOM 3 C LIG 1 -1.529 1.578 2.894 0.00 0.00 +0.039 C ATOM 4 C LIG 1 -1.884 1.208 1.482 0.00 0.00 -0.026 C ATOM 5 C LIG 1 -0.882 1.507 0.640 0.00 0.00 -0.003 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -3.162 0.635 1.131 0.00 0.00 +0.046 A ATOM 7 N LIG 1 -4.272 1.150 1.748 0.00 0.00 -0.322 N ATOM 8 H LIG 1 -4.182 1.925 2.392 0.00 0.00 +0.169 HD ATOM 9 C LIG 1 -5.556 0.694 1.567 0.00 0.00 +0.257 A ATOM 10 O LIG 1 -6.506 1.197 2.155 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -5.732 -0.434 0.621 0.00 0.00 +0.051 A ATOM 12 C LIG 1 -4.607 -0.950 -0.055 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -4.788 -1.989 -0.995 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -6.064 -2.557 -1.132 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -7.154 -2.033 -0.444 0.00 0.00 +0.126 A ATOM 16 F LIG 1 -8.365 -2.577 -0.623 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -7.007 -0.965 0.422 0.00 0.00 +0.052 A ATOM 18 C LIG 1 -3.285 -0.382 0.263 0.00 0.00 +0.036 A BRANCH 13 19 ATOM 19 N LIG 1 -3.709 -2.613 -1.650 0.00 0.00 -0.357 N ATOM 20 H LIG 1 -3.982 -3.152 -2.468 0.00 0.00 +0.142 HD ATOM 21 H LIG 1 -2.940 -1.989 -1.865 0.00 0.00 +0.142 HD ENDBRANCH 13 19 ENDBRANCH 4 6 BRANCH 1 25 ATOM 22 N LIG 1 3.143 0.259 -1.251 0.00 0.00 -0.325 N ATOM 23 C LIG 1 2.026 -0.391 -0.531 0.00 0.00 +0.120 C ATOM 24 C LIG 1 1.828 0.193 0.887 0.00 0.00 +0.104 C ATOM 25 N LIG 1 1.617 1.658 0.931 0.00 0.00 -0.293 NA ATOM 26 C LIG 1 2.064 2.317 -0.313 0.00 0.00 +0.104 C ATOM 27 C LIG 1 3.347 1.688 -0.901 0.00 0.00 +0.120 C BRANCH 22 32 ATOM 28 C LIG 1 6.841 -1.737 -1.850 0.00 0.00 +0.055 A ATOM 29 C LIG 1 6.034 -2.110 -0.776 0.00 0.00 +0.059 A ATOM 30 C LIG 1 4.814 -1.466 -0.566 0.00 0.00 +0.146 A ATOM 31 F LIG 1 4.102 -1.848 0.506 0.00 0.00 -0.204 F ATOM 32 C LIG 1 4.355 -0.435 -1.407 0.00 0.00 +0.066 A ATOM 33 C LIG 1 5.191 -0.079 -2.482 0.00 0.00 +0.027 A ATOM 34 C LIG 1 6.416 -0.719 -2.706 0.00 0.00 +0.021 A BRANCH 28 36 ATOM 35 N LIG 1 9.112 -2.922 -2.250 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 8.095 -2.392 -2.071 0.00 0.00 +0.099 C ENDBRANCH 28 36 ENDBRANCH 22 32 ENDBRANCH 1 25 TORSDOF 5