REMARK Name = BDB027383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.300 0.241 -0.542 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.074 0.454 0.112 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.097 1.703 0.716 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.806 2.713 0.708 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.978 2.499 0.072 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.242 1.290 -0.571 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.936 3.626 0.092 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.331 3.421 0.113 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.222 4.500 0.128 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.729 5.797 0.128 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -5.583 6.829 0.143 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.363 6.038 0.118 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.475 4.958 0.103 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 0.889 -0.559 0.163 0.00 0.00 -0.326 N ATOM 15 C LIG 1 2.292 -0.179 -0.145 0.00 0.00 +0.133 C ATOM 16 C LIG 1 3.280 -1.385 0.054 0.00 0.00 +0.075 C ATOM 17 C LIG 1 3.216 -1.796 1.552 0.00 0.00 +0.031 C ATOM 18 C LIG 1 1.871 -1.502 2.230 0.00 0.00 +0.021 C ATOM 19 C LIG 1 0.691 -1.518 1.266 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 4.711 -0.982 -0.358 0.00 0.00 +0.063 A ATOM 21 N LIG 1 4.860 0.103 -1.163 0.00 0.00 -0.249 NA ATOM 22 C LIG 1 6.113 0.454 -1.572 0.00 0.00 +0.107 A ATOM 23 C LIG 1 7.242 -0.271 -1.205 0.00 0.00 +0.029 A ATOM 24 C LIG 1 7.085 -1.390 -0.398 0.00 0.00 +0.004 A ATOM 25 C LIG 1 5.811 -1.755 0.025 0.00 0.00 +0.025 A BRANCH 22 26 ATOM 26 C LIG 1 6.271 1.669 -2.460 0.00 0.00 +0.390 C ATOM 27 F LIG 1 6.806 1.362 -3.678 0.00 0.00 -0.202 F ATOM 28 F LIG 1 7.104 2.608 -1.923 0.00 0.00 -0.202 F ENDBRANCH 22 26 ENDBRANCH 16 20 BRANCH 16 29 ATOM 29 N LIG 1 2.837 -2.547 -0.769 0.00 0.00 -0.319 NA ATOM 30 H LIG 1 2.710 -2.217 -1.726 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 3.576 -3.245 -0.804 0.00 0.00 +0.119 HD ENDBRANCH 16 29 ENDBRANCH 2 14 BRANCH 1 32 ATOM 32 C LIG 1 -1.563 -1.046 -1.296 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 -5.421 -3.190 0.715 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -4.691 -2.516 -0.279 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -5.030 -2.067 -1.541 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -3.927 -1.522 -2.009 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -2.908 -1.560 -1.093 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -3.372 -2.209 0.018 0.00 0.00 +0.166 A ATOM 39 N LIG 1 -2.711 -2.488 1.153 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -3.512 -3.121 2.033 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -4.808 -3.474 1.886 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 -6.750 -3.563 0.562 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -7.234 -3.042 -0.161 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -7.216 -3.686 1.450 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 8