REMARK Name = BDB061824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.052 -0.402 1.815 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.362 -0.285 3.030 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.993 -0.518 3.000 0.00 0.00 +0.068 A ATOM 4 N LIG 1 -1.912 -0.467 4.041 0.00 0.00 -0.306 N ATOM 5 H LIG 1 -1.728 -0.251 5.007 0.00 0.00 +0.170 HD ATOM 6 C LIG 1 -3.185 -0.780 3.541 0.00 0.00 +0.328 A ATOM 7 N LIG 1 -3.025 -1.026 2.164 0.00 0.00 -0.288 N ATOM 8 O LIG 1 -4.215 -0.816 4.193 0.00 0.00 -0.247 OA ATOM 9 C LIG 1 -1.673 -0.865 1.831 0.00 0.00 +0.070 A ATOM 10 C LIG 1 -1.013 -1.002 0.630 0.00 0.00 +0.029 A ATOM 11 C LIG 1 0.369 -0.770 0.627 0.00 0.00 +0.015 A ENDROOT BRANCH 1 13 ATOM 12 O LIG 1 3.169 -0.334 2.847 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.520 -0.159 1.822 0.00 0.00 +0.244 C ATOM 14 N LIG 1 3.070 0.304 0.647 0.00 0.00 -0.307 N ATOM 15 H LIG 1 2.457 0.695 -0.056 0.00 0.00 +0.149 HD BRANCH 14 16 ATOM 16 C LIG 1 4.470 0.648 0.592 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 4.901 0.959 -0.822 0.00 0.00 -0.019 A ATOM 18 C LIG 1 4.920 -0.024 -1.841 0.00 0.00 +0.059 A ATOM 19 C LIG 1 5.319 0.350 -3.139 0.00 0.00 +0.013 A ATOM 20 C LIG 1 5.703 1.659 -3.426 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.688 2.621 -2.423 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.289 2.275 -1.133 0.00 0.00 +0.006 A BRANCH 18 23 ATOM 23 C LIG 1 4.490 -1.456 -1.593 0.00 0.00 +0.418 C ATOM 24 F LIG 1 5.026 -2.000 -0.468 0.00 0.00 -0.166 F ATOM 25 F LIG 1 3.137 -1.579 -1.478 0.00 0.00 -0.166 F ATOM 26 F LIG 1 4.842 -2.302 -2.605 0.00 0.00 -0.166 F ENDBRANCH 18 23 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 C LIG 1 -4.090 -1.389 1.262 0.00 0.00 +0.162 C BRANCH 27 28 ATOM 28 C LIG 1 -4.513 -0.262 0.332 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -4.763 -0.476 -1.046 0.00 0.00 +0.060 A ATOM 30 C LIG 1 -5.170 0.610 -1.847 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -5.352 1.879 -1.300 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.138 2.083 0.057 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.730 1.023 0.866 0.00 0.00 +0.006 A BRANCH 29 34 ATOM 34 C LIG 1 -4.605 -1.837 -1.687 0.00 0.00 +0.418 C ATOM 35 F LIG 1 -5.010 -1.884 -2.987 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -5.313 -2.806 -1.044 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -3.309 -2.258 -1.690 0.00 0.00 -0.166 F ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 7