REMARK Name = BDB027342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.584 -1.480 0.318 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.972 -2.023 -0.757 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.755 -1.539 -1.106 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.054 -0.531 -0.439 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.711 0.039 0.664 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.975 -0.460 1.045 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.444 -3.186 1.266 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.429 -3.951 0.686 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.638 -5.248 0.413 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.185 -3.400 0.379 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.904 -2.049 0.649 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.938 -1.294 1.225 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.761 0.010 1.488 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.188 -1.844 1.533 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.680 -3.081 2.081 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.616 -3.841 1.521 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.199 -0.116 -0.856 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.375 -0.341 0.008 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.519 -1.032 -0.790 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.906 -0.163 -2.019 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.810 0.818 -2.458 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.402 0.269 -2.256 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.030 -2.356 -1.327 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.181 -2.174 -1.865 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.692 -2.919 -0.541 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.748 -1.384 0.107 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.551 -0.199 0.652 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.342 -0.626 1.675 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -4.735 0.738 1.190 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -5.622 -2.239 -0.670 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.008 -2.779 -1.216 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.151 1.215 1.435 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -0.051 2.396 0.612 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -1.160 3.197 0.633 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -0.917 4.167 -0.325 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -1.935 5.111 -0.537 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -3.059 5.030 0.212 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -3.154 4.033 1.119 0.00 0.00 +0.225 A ATOM 39 N LIG 1 0.335 4.003 -0.884 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.254 3.071 1.403 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 0.829 2.936 -0.289 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -1.840 6.137 -1.469 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -0.883 6.350 -1.729 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -2.447 6.913 -1.239 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10