REMARK Name = BDB040018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.799 1.062 0.312 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.390 1.725 0.637 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.652 2.911 0.725 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.403 0.692 0.886 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.732 0.854 1.235 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.508 -0.299 1.412 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.915 -1.573 1.235 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.560 -1.720 0.880 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.817 -0.555 0.710 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.619 -0.384 0.336 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.436 1.424 -0.649 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.170 0.879 -0.320 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.046 1.668 -0.008 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.208 3.055 -0.023 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.441 3.630 -0.332 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.536 2.825 -0.636 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.699 0.483 -0.989 0.00 0.00 +0.080 C ATOM 18 C LIG 1 6.595 0.923 -2.183 0.00 0.00 +0.177 C ATOM 19 O LIG 1 6.645 -0.439 -2.680 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.432 -0.734 -1.932 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 6.506 0.230 0.298 0.00 0.00 +0.248 C ATOM 22 F LIG 1 7.410 1.249 0.434 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 9.526 -0.493 -0.254 0.00 0.00 +0.151 C ATOM 24 N LIG 1 8.482 -1.386 0.170 0.00 0.00 -0.318 N ATOM 25 C LIG 1 7.167 -1.099 0.426 0.00 0.00 +0.168 A ATOM 26 N LIG 1 6.569 -2.207 0.826 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 7.489 -3.225 0.807 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 8.632 -2.718 0.411 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -0.935 -3.074 0.682 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.452 -3.236 -0.580 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.126 -3.273 1.512 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.784 -4.114 0.899 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.971 -0.188 1.792 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.873 -0.782 0.792 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -5.804 -0.069 -0.496 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -7.024 -0.351 -1.369 0.00 0.00 +0.050 C ATOM 37 C LIG 1 -8.308 0.170 -0.703 0.00 0.00 +0.066 C ATOM 38 C LIG 1 -8.657 1.578 -1.193 0.00 0.00 +0.041 C ATOM 39 C LIG 1 -8.200 0.165 0.832 0.00 0.00 +0.050 C ATOM 40 C LIG 1 -7.242 -0.925 1.312 0.00 0.00 +0.087 C BRANCH 37 41 ATOM 41 O LIG 1 -9.400 -0.668 -1.100 0.00 0.00 -0.389 OA ATOM 42 H LIG 1 -9.190 -1.583 -0.844 0.00 0.00 +0.210 HD ENDBRANCH 37 41 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8