REMARK Name = BDB054059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.163 -0.292 0.994 0.00 0.00 -0.241 N ATOM 2 C LIG 1 1.349 -1.356 1.453 0.00 0.00 +0.077 A ATOM 3 C LIG 1 0.067 -0.845 1.679 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -0.981 -1.632 2.121 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.735 -2.997 2.343 0.00 0.00 +0.057 A ATOM 6 C LIG 1 0.555 -3.519 2.098 0.00 0.00 +0.014 A ATOM 7 N LIG 1 0.082 0.521 1.378 0.00 0.00 -0.287 N ATOM 8 C LIG 1 1.603 -2.702 1.653 0.00 0.00 +0.029 A ATOM 9 C LIG 1 1.379 0.888 0.955 0.00 0.00 +0.336 A ATOM 10 O LIG 1 1.703 2.027 0.656 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.664 1.639 -1.239 0.00 0.00 +0.124 A ATOM 12 C LIG 1 6.789 0.435 -0.546 0.00 0.00 +0.095 A ATOM 13 C LIG 1 5.622 -0.081 0.022 0.00 0.00 +0.173 A ATOM 14 C LIG 1 4.367 0.505 -0.032 0.00 0.00 +0.066 A ATOM 15 C LIG 1 3.521 -0.403 0.701 0.00 0.00 +0.192 A ATOM 16 N LIG 1 4.251 -1.460 1.103 0.00 0.00 -0.059 NA ATOM 17 C LIG 1 4.264 1.707 -0.758 0.00 0.00 +0.019 A ATOM 18 O LIG 1 5.544 -1.246 0.704 0.00 0.00 -0.352 OA ATOM 19 C LIG 1 5.416 2.259 -1.345 0.00 0.00 +0.046 A BRANCH 11 21 ATOM 20 C LIG 1 8.982 1.737 -1.768 0.00 0.00 +0.277 C ATOM 21 O LIG 1 7.682 2.306 -1.867 0.00 0.00 -0.495 OA ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 5 22 ATOM 22 C LIG 1 -1.857 -3.900 2.797 0.00 0.00 +0.417 C ATOM 23 F LIG 1 -1.422 -5.028 3.423 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -2.633 -4.319 1.760 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -2.703 -3.289 3.674 0.00 0.00 -0.166 F ENDBRANCH 5 22 BRANCH 7 26 ATOM 26 C LIG 1 -1.042 1.422 1.437 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 C LIG 1 -1.943 1.305 0.229 0.00 0.00 -0.027 A ATOM 28 C LIG 1 -3.241 0.782 0.347 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -4.088 0.652 -0.770 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -3.594 1.052 -2.023 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -2.310 1.583 -2.151 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -1.490 1.712 -1.033 0.00 0.00 +0.005 A BRANCH 29 33 ATOM 33 C LIG 1 -5.483 0.051 -0.636 0.00 0.00 +0.214 C ATOM 34 C LIG 1 -6.595 0.899 -1.275 0.00 0.00 +0.290 C ATOM 35 O LIG 1 -6.724 1.117 -2.472 0.00 0.00 -0.269 OA ATOM 36 N LIG 1 -7.454 1.352 -0.307 0.00 0.00 -0.107 NA ATOM 37 C LIG 1 -6.994 0.830 0.761 0.00 0.00 +0.381 C ATOM 38 O LIG 1 -5.906 0.043 0.740 0.00 0.00 -0.431 OA ATOM 39 C LIG 1 -5.537 -1.383 -1.158 0.00 0.00 +0.071 C BRANCH 37 40 ATOM 40 O LIG 1 -7.526 0.997 1.969 0.00 0.00 -0.467 OA ATOM 41 H LIG 1 -8.301 1.575 1.879 0.00 0.00 +0.297 HD ENDBRANCH 37 40 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 7