REMARK Name = BDB007018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.245 0.726 -0.694 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.934 -0.195 0.082 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.279 -0.571 -0.094 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.648 -1.504 0.867 0.00 0.00 -0.001 A ATOM 5 C LIG 1 3.935 -1.991 0.860 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.853 -1.596 -0.047 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 4.475 -0.679 -0.995 0.00 0.00 +0.116 A ATOM 8 C LIG 1 1.524 -1.809 1.818 0.00 0.00 +0.009 C ATOM 9 C LIG 1 1.829 -1.259 3.216 0.00 0.00 +0.017 C ATOM 10 C LIG 1 1.215 -3.307 1.888 0.00 0.00 +0.017 C ATOM 11 C LIG 1 3.187 -0.140 -1.042 0.00 0.00 +0.053 A ATOM 12 C LIG 1 0.358 -1.027 1.157 0.00 0.00 +0.124 C ATOM 13 O LIG 1 0.744 1.356 -1.630 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 5.520 -0.204 -2.019 0.00 0.00 +0.315 C ATOM 15 F LIG 1 6.368 -1.226 -2.374 0.00 0.00 -0.193 F ATOM 16 F LIG 1 4.919 0.133 -3.211 0.00 0.00 -0.193 F BRANCH 14 17 ATOM 17 C LIG 1 6.311 0.979 -1.466 0.00 0.00 +0.027 A ATOM 18 C LIG 1 5.958 2.298 -1.796 0.00 0.00 +0.010 A ATOM 19 C LIG 1 6.678 3.374 -1.274 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.754 3.146 -0.418 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.114 1.842 -0.081 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.397 0.763 -0.602 0.00 0.00 +0.010 A ENDBRANCH 14 17 ENDBRANCH 7 14 BRANCH 1 23 ATOM 23 C LIG 1 -1.229 0.978 -0.330 0.00 0.00 +0.181 C BRANCH 23 30 ATOM 24 C LIG 1 -2.810 -0.042 -4.429 0.00 0.00 +0.025 C ATOM 25 C LIG 1 -2.826 0.452 -2.983 0.00 0.00 +0.065 C ATOM 26 N LIG 1 -4.227 0.630 -2.554 0.00 0.00 -0.311 NA ATOM 27 H LIG 1 -4.716 -0.257 -2.683 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 -4.285 0.991 -1.127 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -3.512 -0.001 -0.205 0.00 0.00 +0.089 C ATOM 30 N LIG 1 -2.088 -0.196 -0.621 0.00 0.00 -0.287 NA ATOM 31 C LIG 1 -2.063 -0.542 -2.065 0.00 0.00 +0.103 C BRANCH 29 32 ATOM 32 C LIG 1 -3.668 0.380 1.291 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 N LIG 1 -5.019 0.194 1.799 0.00 0.00 -0.241 N ATOM 34 C LIG 1 -5.917 1.207 1.956 0.00 0.00 +0.222 C ATOM 35 O LIG 1 -5.731 2.386 1.696 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 -7.198 0.650 2.499 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -6.941 -0.840 2.626 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -5.529 -1.020 2.154 0.00 0.00 +0.222 C ATOM 39 O LIG 1 -4.950 -2.094 2.101 0.00 0.00 -0.275 OA ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 6