REMARK Name = BDB027407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.976 0.867 1.827 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.040 1.204 0.920 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.173 2.350 0.150 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.281 3.127 0.189 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.274 2.756 1.030 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.143 1.650 1.865 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.484 3.600 0.997 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.773 3.055 1.155 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.900 3.873 1.105 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.114 3.322 1.254 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.775 5.241 0.902 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.867 6.023 0.861 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.519 5.810 0.744 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.383 4.992 0.787 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.200 0.421 0.837 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.468 -0.147 -0.515 0.00 0.00 +0.133 C ATOM 17 C LIG 1 2.943 -0.645 -0.699 0.00 0.00 +0.075 C ATOM 18 C LIG 1 3.861 0.595 -0.480 0.00 0.00 +0.031 C ATOM 19 C LIG 1 3.385 1.571 0.603 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.358 0.980 1.557 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 3.218 -1.247 -2.094 0.00 0.00 +0.063 A ATOM 22 N LIG 1 4.518 -1.255 -2.502 0.00 0.00 -0.249 NA ATOM 23 C LIG 1 4.831 -1.793 -3.712 0.00 0.00 +0.107 A ATOM 24 C LIG 1 3.870 -2.369 -4.535 0.00 0.00 +0.029 A ATOM 25 C LIG 1 2.550 -2.391 -4.105 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.219 -1.835 -2.872 0.00 0.00 +0.025 A BRANCH 23 27 ATOM 27 C LIG 1 6.272 -1.749 -4.176 0.00 0.00 +0.390 C ATOM 28 F LIG 1 6.827 -2.991 -4.299 0.00 0.00 -0.202 F ATOM 29 F LIG 1 6.411 -1.168 -5.406 0.00 0.00 -0.202 F ENDBRANCH 23 27 ENDBRANCH 17 21 BRANCH 17 30 ATOM 30 N LIG 1 3.303 -1.665 0.330 0.00 0.00 -0.319 NA ATOM 31 H LIG 1 4.263 -1.957 0.138 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 2.736 -2.497 0.171 0.00 0.00 +0.119 HD ENDBRANCH 17 30 ENDBRANCH 2 15 BRANCH 1 33 ATOM 33 C LIG 1 -0.867 -0.336 2.732 0.00 0.00 +0.161 C BRANCH 33 38 ATOM 34 C LIG 1 -3.382 -3.928 0.673 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -2.236 -3.238 1.103 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -0.886 -3.531 1.031 0.00 0.00 -0.231 NA ATOM 37 C LIG 1 -0.295 -2.515 1.627 0.00 0.00 +0.202 A ATOM 38 N LIG 1 -1.193 -1.566 2.038 0.00 0.00 -0.310 N ATOM 39 C LIG 1 -2.445 -2.017 1.726 0.00 0.00 +0.166 A ATOM 40 N LIG 1 -3.623 -1.415 1.962 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -4.645 -2.165 1.501 0.00 0.00 +0.225 A ATOM 42 N LIG 1 -4.594 -3.360 0.876 0.00 0.00 -0.219 NA BRANCH 34 43 ATOM 43 N LIG 1 -3.339 -5.163 0.038 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -2.448 -5.371 -0.398 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -4.186 -5.352 -0.483 0.00 0.00 +0.144 HD ENDBRANCH 34 43 ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 8