REMARK Name = BDB060102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.985 -0.095 -0.202 0.00 0.00 +0.223 A ATOM 2 N LIG 1 0.341 -1.226 0.069 0.00 0.00 -0.181 NA ATOM 3 C LIG 1 -0.981 -1.183 0.190 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.670 -0.058 0.060 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -0.962 1.037 -0.195 0.00 0.00 +0.170 A ATOM 6 N LIG 1 0.356 1.067 -0.332 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.126 -0.951 1.851 0.00 0.00 +0.030 C ATOM 8 C LIG 1 3.092 -1.207 0.339 0.00 0.00 +0.099 C ATOM 9 N LIG 1 2.360 -0.139 -0.374 0.00 0.00 -0.292 N ATOM 10 C LIG 1 3.062 1.146 -0.501 0.00 0.00 +0.136 C ATOM 11 C LIG 1 4.505 0.926 -0.982 0.00 0.00 +0.179 C ATOM 12 O LIG 1 5.203 -0.030 -0.170 0.00 0.00 -0.376 OA ATOM 13 C LIG 1 4.529 -1.298 -0.222 0.00 0.00 +0.182 C ENDBRANCH 1 9 BRANCH 3 14 ATOM 14 N LIG 1 -1.656 -2.346 0.497 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -3.102 -2.432 0.270 0.00 0.00 +0.136 C ATOM 16 C LIG 1 -3.431 -3.682 -0.565 0.00 0.00 +0.179 C ATOM 17 O LIG 1 -2.990 -4.912 0.028 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 -1.823 -4.767 0.852 0.00 0.00 +0.179 C ATOM 19 C LIG 1 -0.910 -3.606 0.430 0.00 0.00 +0.136 C ENDBRANCH 3 14 BRANCH 5 20 ATOM 20 C LIG 1 -1.700 2.293 -0.338 0.00 0.00 +0.064 A ATOM 21 C LIG 1 -1.207 3.569 -0.074 0.00 0.00 +0.122 A ATOM 22 N LIG 1 -1.966 4.694 -0.241 0.00 0.00 -0.213 NA ATOM 23 C LIG 1 -3.226 4.553 -0.645 0.00 0.00 +0.213 A ATOM 24 N LIG 1 -3.793 3.386 -0.930 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 -3.021 2.290 -0.762 0.00 0.00 +0.128 A BRANCH 21 26 ATOM 26 C LIG 1 0.209 3.799 0.418 0.00 0.00 +0.390 C ATOM 27 F LIG 1 0.387 5.024 1.002 0.00 0.00 -0.202 F ATOM 28 F LIG 1 1.137 3.749 -0.582 0.00 0.00 -0.202 F ENDBRANCH 21 26 BRANCH 23 29 ATOM 29 N LIG 1 -3.977 5.694 -0.816 0.00 0.00 -0.327 N ATOM 30 H LIG 1 -4.711 5.530 -1.490 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -3.370 6.487 -0.970 0.00 0.00 +0.145 HD ENDBRANCH 23 29 ENDBRANCH 5 20 TORSDOF 5