REMARK Name = BDB064366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.919 -0.602 -0.223 0.00 0.00 -0.267 N ATOM 2 C LIG 1 1.061 -1.629 0.193 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.394 -2.800 0.360 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.362 -1.257 0.462 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.174 -2.166 1.157 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.522 -1.881 1.402 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.046 -0.667 0.934 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.247 0.244 0.224 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -0.889 -0.039 -0.005 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.025 0.878 -0.778 0.00 0.00 +0.056 C ATOM 11 C LIG 1 1.441 0.778 -0.221 0.00 0.00 +0.118 C ENDROOT BRANCH 1 20 ATOM 12 C LIG 1 5.610 1.645 0.816 0.00 0.00 +0.139 A ATOM 13 C LIG 1 4.448 0.916 0.576 0.00 0.00 +0.059 A ATOM 14 C LIG 1 4.390 -0.102 -0.407 0.00 0.00 +0.025 A ATOM 15 C LIG 1 5.612 -0.373 -1.068 0.00 0.00 +0.073 A ATOM 16 C LIG 1 5.681 -1.424 -1.967 0.00 0.00 +0.028 A ATOM 17 C LIG 1 4.583 -2.234 -2.232 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.370 -1.968 -1.611 0.00 0.00 +0.024 A ATOM 19 N LIG 1 6.739 0.329 -0.859 0.00 0.00 -0.251 NA ATOM 20 C LIG 1 3.237 -0.891 -0.720 0.00 0.00 +0.046 A ATOM 21 C LIG 1 6.718 1.319 0.062 0.00 0.00 +0.157 A BRANCH 12 23 ATOM 22 C LIG 1 6.708 3.328 2.072 0.00 0.00 +0.277 C ATOM 23 O LIG 1 5.516 2.607 1.779 0.00 0.00 -0.494 OA ENDBRANCH 12 23 ENDBRANCH 1 20 BRANCH 8 24 ATOM 24 C LIG 1 -2.869 1.456 -0.265 0.00 0.00 +0.032 A ATOM 25 C LIG 1 -3.352 1.801 -1.560 0.00 0.00 +0.173 A ATOM 26 N LIG 1 -3.852 3.055 -1.558 0.00 0.00 -0.167 NA ATOM 27 N LIG 1 -3.719 3.470 -0.287 0.00 0.00 -0.273 N ATOM 28 C LIG 1 -4.182 4.787 0.080 0.00 0.00 +0.172 C ATOM 29 C LIG 1 -3.133 2.550 0.529 0.00 0.00 +0.117 A BRANCH 25 30 ATOM 30 C LIG 1 -3.313 0.935 -2.792 0.00 0.00 +0.437 C ATOM 31 F LIG 1 -4.121 1.376 -3.793 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -2.055 0.864 -3.310 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -3.690 -0.345 -2.528 0.00 0.00 -0.164 F ENDBRANCH 25 30 ENDBRANCH 8 24 BRANCH 6 34 ATOM 34 C LIG 1 -3.383 -2.865 2.156 0.00 0.00 +0.157 C BRANCH 34 35 ATOM 35 N LIG 1 -4.484 -3.360 1.347 0.00 0.00 -0.332 N ATOM 36 C LIG 1 -5.808 -3.106 1.561 0.00 0.00 +0.199 A ATOM 37 N LIG 1 -6.564 -3.716 0.676 0.00 0.00 -0.244 NA ATOM 38 C LIG 1 -5.692 -4.397 -0.135 0.00 0.00 +0.130 A ATOM 39 C LIG 1 -4.392 -4.200 0.271 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 6