REMARK Name = BDB010918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.921 0.369 -0.465 0.00 0.00 -0.196 N ATOM 2 C LIG 1 0.405 0.344 -0.929 0.00 0.00 +0.280 A ATOM 3 O LIG 1 0.789 0.077 -2.067 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.460 0.680 0.055 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.119 0.997 1.363 0.00 0.00 +0.019 A ATOM 6 C LIG 1 2.105 1.317 2.313 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.451 1.309 1.906 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.815 0.988 0.590 0.00 0.00 -0.032 A ATOM 9 C LIG 1 -0.303 0.972 1.684 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.808 0.677 -0.332 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -1.242 0.681 0.843 0.00 0.00 -0.171 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.564 -0.088 -1.455 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.376 0.188 -0.737 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -2.076 0.076 -1.283 0.00 0.00 +0.070 A ATOM 15 C LIG 1 -1.988 -0.328 -2.618 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.134 -0.609 -3.366 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.396 -0.491 -2.790 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -7.921 2.869 0.087 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -7.570 1.410 -0.128 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.005 1.034 -1.517 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -6.025 0.031 -0.803 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -6.227 0.928 0.470 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -6.649 -1.421 -0.617 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -6.144 -2.460 0.117 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.934 -2.498 0.890 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.022 -3.490 -0.036 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.010 -3.114 -0.813 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.774 -1.811 -1.183 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 1.754 1.657 3.736 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.099 0.641 4.361 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.933 2.739 3.818 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.829 1.946 4.518 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 5.274 0.982 0.174 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.080 0.043 0.966 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 7.522 0.304 0.822 0.00 0.00 +0.088 C ATOM 36 C LIG 1 8.104 -0.106 -0.543 0.00 0.00 +0.000 C ATOM 37 C LIG 1 9.611 0.140 -0.583 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.789 -1.577 -0.838 0.00 0.00 +0.006 C ATOM 39 C LIG 1 6.299 -1.859 -0.676 0.00 0.00 +0.016 C ATOM 40 C LIG 1 5.784 -1.371 0.680 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6