REMARK Name = BDB026178 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.112 0.102 0.492 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.801 -1.239 0.746 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.782 -2.131 0.962 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.488 -1.709 0.748 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.583 -0.848 0.485 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.291 0.523 0.273 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.035 0.979 0.271 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.917 -1.297 0.384 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.372 -2.344 1.324 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.745 -2.917 0.867 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.383 -3.722 2.006 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.661 -3.619 -0.444 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.554 -5.074 -0.375 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.688 -2.977 -1.372 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -1.374 -3.744 -1.598 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.371 -1.492 -1.024 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 6.210 1.454 0.309 0.00 0.00 +0.072 A ATOM 18 C LIG 1 5.763 0.665 1.367 0.00 0.00 +0.136 A ATOM 19 F LIG 1 6.595 0.288 2.353 0.00 0.00 -0.205 F ATOM 20 C LIG 1 4.435 0.234 1.438 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.507 0.579 0.441 0.00 0.00 -0.012 A ATOM 22 C LIG 1 3.960 1.384 -0.618 0.00 0.00 +0.009 A ATOM 23 C LIG 1 5.292 1.816 -0.687 0.00 0.00 +0.016 A BRANCH 17 27 ATOM 24 C LIG 1 9.893 1.952 1.108 0.00 0.00 +0.128 C ATOM 25 N LIG 1 8.497 1.609 1.192 0.00 0.00 -0.314 N ATOM 26 H LIG 1 8.195 0.991 1.938 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 7.618 1.928 0.178 0.00 0.00 +0.247 C ATOM 28 O LIG 1 7.955 2.572 -0.812 0.00 0.00 -0.270 OA ENDBRANCH 17 27 ENDBRANCH 1 21 BRANCH 6 29 ATOM 29 N LIG 1 -1.405 1.374 0.093 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.290 0.872 0.154 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.410 2.735 -0.101 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.452 3.495 -0.139 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.785 3.288 -0.231 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.548 3.259 -1.473 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.762 3.842 -1.510 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.325 4.496 -0.301 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.427 5.028 -0.324 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.536 4.458 0.823 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.912 4.925 1.641 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.292 3.881 0.860 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.950 2.569 -2.659 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.739 1.251 -2.405 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.759 2.615 -3.750 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.762 3.103 -3.032 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6