REMARK Name = BDB065281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.220 -0.396 0.306 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -0.919 -1.162 0.086 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.970 -0.357 0.506 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.291 -0.822 0.432 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.532 -2.107 -0.071 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.461 -2.905 -0.489 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -1.510 0.844 0.952 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -1.136 -2.451 -0.421 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.196 0.824 0.827 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.889 -2.607 -0.140 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.514 -3.046 -1.287 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.126 -3.165 -2.705 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.781 -3.439 -0.983 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.016 -3.251 0.366 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.882 -2.746 0.867 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.790 -2.420 2.309 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 0.680 1.994 1.198 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -0.023 3.263 1.024 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -0.543 3.709 2.256 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -1.236 4.691 2.484 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -0.083 2.756 3.338 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -1.046 1.886 3.743 0.00 0.00 -0.236 F ATOM 23 C LIG 1 1.047 1.993 2.679 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -0.220 3.902 -0.237 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -0.753 5.197 -0.330 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -0.926 5.816 -1.570 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -1.426 7.058 -1.620 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -0.576 5.162 -2.739 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -0.738 5.757 -3.928 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -0.050 3.881 -2.683 0.00 0.00 +0.043 A ATOM 31 C LIG 1 0.127 3.260 -1.439 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 4.556 -0.520 -0.136 0.00 0.00 +0.177 C ATOM 33 C LIG 1 3.769 -0.196 1.141 0.00 0.00 +0.046 C ATOM 34 C LIG 1 2.482 -1.013 1.252 0.00 0.00 +0.029 C ATOM 35 C LIG 1 1.573 -0.874 0.017 0.00 0.00 +0.089 C ATOM 36 C LIG 1 2.246 -0.160 -1.166 0.00 0.00 +0.029 C ATOM 37 C LIG 1 3.660 -0.696 -1.374 0.00 0.00 +0.046 C BRANCH 32 38 ATOM 38 O LIG 1 5.278 -1.746 0.105 0.00 0.00 -0.462 OA BRANCH 38 40 ATOM 39 C LIG 1 7.025 -3.251 -0.319 0.00 0.00 +0.136 C ATOM 40 C LIG 1 6.363 -1.960 -0.690 0.00 0.00 +0.304 C ATOM 41 O LIG 1 6.744 -1.216 -1.583 0.00 0.00 -0.251 OA ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 1 35 TORSDOF 6