REMARK Name = BDB008348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.029 -1.338 0.390 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.152 -2.407 1.268 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.531 -3.543 1.072 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.996 -2.310 2.369 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.736 -1.143 2.577 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.653 -0.070 1.672 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.781 -0.173 0.577 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 -2.858 -0.689 0.591 0.00 0.00 +0.148 C ATOM 9 N LIG 1 -2.245 -1.361 -0.585 0.00 0.00 -0.285 N ATOM 10 C LIG 1 -0.862 -1.438 -0.773 0.00 0.00 +0.250 C ATOM 11 O LIG 1 -0.339 -1.554 -1.878 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -3.065 -1.368 -1.801 0.00 0.00 +0.130 C ATOM 13 C LIG 1 -3.263 0.063 -2.304 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -3.602 0.943 -1.200 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -4.107 2.213 -1.240 0.00 0.00 +0.238 A ATOM 16 N LIG 1 -4.225 2.647 0.003 0.00 0.00 -0.125 NA ATOM 17 N LIG 1 -3.779 1.662 0.854 0.00 0.00 -0.132 NA ATOM 18 C LIG 1 -3.400 0.637 0.124 0.00 0.00 +0.155 A BRANCH 15 19 ATOM 19 C LIG 1 -4.444 2.917 -2.499 0.00 0.00 +0.452 C ATOM 20 F LIG 1 -3.387 2.938 -3.356 0.00 0.00 -0.163 F ATOM 21 F LIG 1 -5.452 2.288 -3.162 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -4.831 4.203 -2.319 0.00 0.00 -0.163 F ENDBRANCH 15 19 BRANCH 8 23 ATOM 23 C LIG 1 -3.985 -1.516 1.252 0.00 0.00 +0.057 C BRANCH 23 25 ATOM 24 C LIG 1 -3.546 -3.175 3.090 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -3.513 -2.838 1.794 0.00 0.00 -0.032 C ENDBRANCH 23 25 ENDBRANCH 8 23 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 C LIG 1 2.453 1.192 1.916 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 3.134 1.738 0.667 0.00 0.00 +0.074 A ATOM 28 C LIG 1 4.368 1.094 0.148 0.00 0.00 +0.011 A ATOM 29 C LIG 1 4.932 1.639 -1.004 0.00 0.00 +0.050 A ATOM 30 C LIG 1 6.094 1.089 -1.559 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.695 -0.014 -0.956 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.136 -0.565 0.197 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.293 2.804 -1.635 0.00 0.00 +0.272 A ATOM 34 O LIG 1 4.758 3.321 -2.645 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 3.156 3.274 -1.025 0.00 0.00 -0.242 N ATOM 36 H LIG 1 2.702 4.079 -1.446 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 4.976 -0.015 0.751 0.00 0.00 +0.010 A ATOM 38 N LIG 1 2.578 2.766 0.095 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6