REMARK Name = BDB027475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.359 -0.678 -0.682 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.484 -1.057 0.350 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.763 -2.271 0.984 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.796 -3.094 0.681 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.624 -2.723 -0.321 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.432 -1.528 -1.013 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.730 -3.660 -0.611 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.301 -4.430 0.421 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.343 -5.316 0.163 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.867 -6.027 1.171 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.838 -5.461 -1.124 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.842 -6.313 -1.373 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.294 -4.726 -2.168 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.246 -3.833 -1.913 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.602 -0.233 0.696 0.00 0.00 -0.327 N ATOM 16 C LIG 1 1.841 -0.619 -0.024 0.00 0.00 +0.130 C ATOM 17 C LIG 1 3.116 0.141 0.511 0.00 0.00 +0.067 C ATOM 18 C LIG 1 2.695 1.428 1.249 0.00 0.00 +0.028 C ATOM 19 C LIG 1 1.664 1.194 2.360 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.802 -0.047 2.139 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.811 -0.739 1.497 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 4.164 -1.556 0.987 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 4.649 -0.273 1.853 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 4.044 0.430 -0.711 0.00 0.00 +0.239 C BRANCH 24 25 ATOM 25 C LIG 1 5.210 1.386 -0.431 0.00 0.00 +0.417 C ATOM 26 F LIG 1 4.795 2.656 -0.244 0.00 0.00 -0.168 F ATOM 27 F LIG 1 6.046 1.395 -1.501 0.00 0.00 -0.168 F ATOM 28 F LIG 1 5.937 1.012 0.643 0.00 0.00 -0.168 F ENDBRANCH 24 25 BRANCH 24 29 ATOM 29 O LIG 1 4.504 -0.844 -1.241 0.00 0.00 -0.381 OA ATOM 30 H LIG 1 5.200 -0.646 -1.899 0.00 0.00 +0.210 HD ENDBRANCH 24 29 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 31 ATOM 31 C LIG 1 -1.179 0.606 -1.459 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -0.097 5.018 0.208 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -0.795 3.800 0.148 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -1.859 3.303 0.872 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -2.081 2.109 0.362 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -1.198 1.807 -0.642 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -0.368 2.885 -0.801 0.00 0.00 +0.166 A ATOM 38 N LIG 1 0.639 3.035 -1.681 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 1.230 4.239 -1.528 0.00 0.00 +0.225 A ATOM 40 N LIG 1 0.937 5.214 -0.641 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -0.407 6.029 1.109 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -0.941 5.704 1.908 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 0.377 6.644 1.281 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 9