REMARK Name = BDB040067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.823 0.440 0.160 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -5.327 0.449 -1.169 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -3.947 0.387 -1.453 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -3.075 0.325 -0.371 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -1.582 0.254 -0.349 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.262 0.218 1.073 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -2.421 0.260 1.855 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -2.579 0.249 3.062 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.560 0.327 0.929 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -4.910 0.387 1.225 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.077 0.150 1.548 0.00 0.00 +0.037 A ATOM 12 C LIG 1 1.159 0.110 0.645 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.524 0.044 1.038 0.00 0.00 -0.032 A ATOM 14 C LIG 1 2.748 0.014 2.427 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.698 0.052 3.345 0.00 0.00 +0.002 A ATOM 16 C LIG 1 0.376 0.121 2.908 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 3.731 0.004 -0.105 0.00 0.00 +0.080 C ATOM 18 C LIG 1 3.534 1.012 -1.280 0.00 0.00 +0.177 C ATOM 19 O LIG 1 2.966 -0.038 -2.112 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 3.519 -1.048 -1.229 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 5.126 -0.031 0.534 0.00 0.00 +0.248 C ATOM 22 F LIG 1 5.199 -1.170 1.290 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 6.306 0.042 -0.377 0.00 0.00 +0.168 A ATOM 24 N LIG 1 7.155 -0.994 -0.683 0.00 0.00 -0.318 N ATOM 25 C LIG 1 7.111 -2.353 -0.213 0.00 0.00 +0.151 C ATOM 26 C LIG 1 8.093 -0.479 -1.525 0.00 0.00 +0.224 A ATOM 27 N LIG 1 7.856 0.796 -1.718 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.746 1.128 -0.984 0.00 0.00 -0.132 NA ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -3.429 0.391 -2.866 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.707 -0.727 -3.151 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.598 1.442 -3.105 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -4.407 0.461 -3.809 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 34 ATOM 33 C LIG 1 -8.137 -0.504 -0.314 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -7.310 0.523 0.460 0.00 0.00 +0.078 C BRANCH 34 35 ATOM 35 N LIG 1 -7.814 1.869 0.192 0.00 0.00 -0.324 NA ATOM 36 H LIG 1 -7.260 2.543 0.719 0.00 0.00 +0.119 HD ATOM 37 H LIG 1 -7.683 2.100 -0.791 0.00 0.00 +0.119 HD ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 7