REMARK Name = BDB050841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.371 0.712 -0.516 0.00 0.00 +0.195 C ATOM 2 N LIG 1 -1.751 -0.700 -0.764 0.00 0.00 -0.281 N ATOM 3 C LIG 1 -1.043 -1.510 -1.650 0.00 0.00 +0.217 C ATOM 4 O LIG 1 -1.586 -2.434 -2.257 0.00 0.00 -0.276 OA ATOM 5 C LIG 1 0.445 -1.219 -1.825 0.00 0.00 +0.096 C ATOM 6 C LIG 1 1.230 -2.438 -2.321 0.00 0.00 +0.009 C ATOM 7 C LIG 1 1.406 -3.535 -1.265 0.00 0.00 +0.000 C ATOM 8 C LIG 1 2.330 -3.175 -0.095 0.00 0.00 +0.000 C ATOM 9 C LIG 1 3.782 -2.956 -0.529 0.00 0.00 +0.000 C ATOM 10 C LIG 1 4.756 -2.813 0.644 0.00 0.00 +0.000 C ATOM 11 C LIG 1 4.533 -1.599 1.551 0.00 0.00 -0.000 C ATOM 12 C LIG 1 4.633 -0.262 0.812 0.00 0.00 -0.000 C ATOM 13 C LIG 1 4.733 0.915 1.788 0.00 0.00 +0.000 C ATOM 14 C LIG 1 4.886 2.262 1.075 0.00 0.00 +0.000 C ATOM 15 C LIG 1 3.590 2.809 0.466 0.00 0.00 +0.000 C ATOM 16 C LIG 1 2.644 3.382 1.526 0.00 0.00 +0.002 C ATOM 17 C LIG 1 1.377 4.012 0.933 0.00 0.00 +0.019 C ATOM 18 C LIG 1 0.415 3.025 0.276 0.00 0.00 +0.104 C ATOM 19 N LIG 1 -0.071 2.021 1.202 0.00 0.00 -0.313 N ATOM 20 H LIG 1 0.152 2.111 2.187 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -0.878 0.945 0.931 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -1.198 0.229 1.881 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 24 ATOM 23 CA LIG 1 -2.736 2.100 -2.236 0.00 0.00 +0.131 A ATOM 24 C LIG 1 -2.500 1.653 -0.934 0.00 0.00 +0.021 A ATOM 25 C LIG 1 -3.520 2.258 -0.102 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.341 3.021 -0.933 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -5.438 3.761 -0.466 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -5.714 3.715 0.900 0.00 0.00 +0.043 A ATOM 29 C LIG 1 -4.932 2.956 1.764 0.00 0.00 +0.021 A ATOM 30 CL LIG 1 -7.050 4.605 1.522 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 -3.839 2.226 1.276 0.00 0.00 +0.012 A ATOM 32 N LIG 1 -3.866 2.883 -2.207 0.00 0.00 -0.349 N ATOM 33 H LIG 1 -4.264 3.320 -3.031 0.00 0.00 +0.166 HD BRANCH 23 35 ATOM 34 O LIG 1 -0.921 1.310 -3.577 0.00 0.00 -0.243 OA ATOM 35 C LIG 1 -2.005 1.854 -3.447 0.00 0.00 +0.354 C BRANCH 35 36 ATOM 36 OXT LIG 1 -2.659 2.358 -4.513 0.00 0.00 -0.476 OA ATOM 37 HXT LIG 1 -2.062 2.140 -5.262 0.00 0.00 +0.295 HD ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 1 24 BRANCH 2 38 ATOM 38 C LIG 1 -3.076 -1.158 -0.346 0.00 0.00 +0.144 C BRANCH 38 39 ATOM 39 C LIG 1 -3.104 -2.543 0.267 0.00 0.00 -0.024 A ATOM 40 C LIG 1 -2.326 -2.863 1.387 0.00 0.00 +0.046 A ATOM 41 C LIG 1 -2.401 -4.133 1.958 0.00 0.00 +0.162 A ATOM 42 F LIG 1 -1.668 -4.405 3.043 0.00 0.00 -0.202 F ATOM 43 C LIG 1 -3.246 -5.098 1.433 0.00 0.00 +0.193 A ATOM 44 F LIG 1 -3.349 -6.301 2.017 0.00 0.00 -0.199 F ATOM 45 C LIG 1 -4.014 -4.794 0.321 0.00 0.00 +0.162 A ATOM 46 F LIG 1 -4.854 -5.709 -0.184 0.00 0.00 -0.202 F ATOM 47 C LIG 1 -3.951 -3.530 -0.262 0.00 0.00 +0.046 A ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 5