REMARK Name = BDB035344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.922 -0.039 -0.347 0.00 0.00 +0.241 C ATOM 2 N LIG 1 0.028 -0.690 0.431 0.00 0.00 -0.267 N ATOM 3 C LIG 1 1.305 -0.234 0.684 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.973 -1.095 1.632 0.00 0.00 -0.012 A ATOM 5 C LIG 1 3.226 -0.849 2.035 0.00 0.00 +0.076 A ATOM 6 C LIG 1 3.956 0.329 1.488 0.00 0.00 +0.252 A ATOM 7 N LIG 1 3.257 1.117 0.573 0.00 0.00 -0.309 N ATOM 8 O LIG 1 5.109 0.535 1.857 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 1.049 -2.220 2.026 0.00 0.00 +0.008 C ATOM 10 C LIG 1 1.598 -3.575 1.554 0.00 0.00 +0.017 C ATOM 11 C LIG 1 0.798 -2.254 3.539 0.00 0.00 +0.017 C ATOM 12 C LIG 1 1.953 0.825 0.183 0.00 0.00 +0.113 A ATOM 13 C LIG 1 -0.252 -1.871 1.266 0.00 0.00 +0.124 C ATOM 14 O LIG 1 -0.757 1.090 -0.825 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -2.259 -0.780 -0.632 0.00 0.00 +0.165 C BRANCH 15 17 ATOM 16 C LIG 1 -3.824 0.420 0.847 0.00 0.00 +0.230 C ATOM 17 N LIG 1 -3.307 0.226 -0.418 0.00 0.00 -0.302 N ATOM 18 H LIG 1 -3.207 1.055 -0.993 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 -3.599 -0.371 1.766 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 -4.781 1.635 1.010 0.00 0.00 +0.137 C ATOM 21 C LIG 1 -4.314 2.902 0.296 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 -3.963 2.481 3.181 0.00 0.00 +0.101 C ATOM 23 N LIG 1 -5.067 1.867 2.450 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 -5.236 0.944 2.865 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 25 ATOM 25 C LIG 1 -2.324 -1.400 -2.067 0.00 0.00 -0.011 C ATOM 26 C LIG 1 -3.690 -2.099 -2.253 0.00 0.00 +0.013 C ATOM 27 C LIG 1 -2.165 -0.354 -3.187 0.00 0.00 +0.013 C ATOM 28 C LIG 1 -1.226 -2.466 -2.244 0.00 0.00 +0.013 C ENDBRANCH 15 25 ENDBRANCH 1 15 BRANCH 7 29 ATOM 29 C LIG 1 3.930 2.273 -0.016 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 C LIG 1 4.541 1.958 -1.360 0.00 0.00 +0.008 A ATOM 31 C LIG 1 3.902 2.350 -2.541 0.00 0.00 +0.131 A ATOM 32 F LIG 1 2.747 3.028 -2.480 0.00 0.00 -0.205 F ATOM 33 C LIG 1 4.437 2.055 -3.789 0.00 0.00 +0.077 A ATOM 34 C LIG 1 5.631 1.353 -3.857 0.00 0.00 +0.126 A ATOM 35 F LIG 1 6.157 1.062 -5.054 0.00 0.00 -0.205 F ATOM 36 C LIG 1 6.293 0.946 -2.703 0.00 0.00 +0.039 A ATOM 37 C LIG 1 5.748 1.246 -1.453 0.00 0.00 +0.011 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7