REMARK Name = BDB064885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.789 -6.434 2.878 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.443 -4.966 2.937 0.00 0.00 -0.043 A ATOM 3 C LIG 1 -2.404 -4.145 1.771 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -2.679 -4.690 0.510 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.636 -3.921 -0.645 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -2.331 -2.564 -0.597 0.00 0.00 -0.013 A ATOM 7 C LIG 1 -2.059 -1.926 0.641 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.785 -0.516 0.540 0.00 0.00 +0.175 A ATOM 9 O LIG 1 -1.543 0.169 1.710 0.00 0.00 -0.445 OA ATOM 10 C LIG 1 -0.876 1.423 1.530 0.00 0.00 +0.412 C ATOM 11 C LIG 1 -1.627 2.224 0.456 0.00 0.00 +0.285 C ATOM 12 O LIG 1 -1.543 1.525 -0.796 0.00 0.00 -0.473 OA ATOM 13 C LIG 1 -1.784 0.176 -0.694 0.00 0.00 +0.167 A ATOM 14 C LIG 1 -2.019 -0.499 -1.892 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -2.302 -1.866 -1.816 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -2.080 -2.757 1.854 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -1.785 -2.280 3.159 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -1.817 -3.085 4.300 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.149 -4.421 4.190 0.00 0.00 +0.004 A ENDROOT BRANCH 11 20 ATOM 20 C LIG 1 -1.188 3.664 0.214 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -1.758 4.368 -0.868 0.00 0.00 +0.056 A ATOM 22 C LIG 1 -1.408 5.694 -1.123 0.00 0.00 +0.159 A ATOM 23 C LIG 1 -0.493 6.346 -0.303 0.00 0.00 +0.158 A ATOM 24 C LIG 1 0.074 5.677 0.777 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -0.274 4.345 1.035 0.00 0.00 +0.011 A BRANCH 22 26 ATOM 26 O LIG 1 -1.962 6.363 -2.178 0.00 0.00 -0.503 OA ATOM 27 H LIG 1 -2.541 5.759 -2.667 0.00 0.00 +0.292 HD ENDBRANCH 22 26 BRANCH 23 28 ATOM 28 O LIG 1 -0.161 7.645 -0.565 0.00 0.00 -0.503 OA ATOM 29 H LIG 1 0.497 7.941 0.083 0.00 0.00 +0.292 HD ENDBRANCH 23 28 ENDBRANCH 11 20 BRANCH 14 30 ATOM 30 C LIG 1 -1.995 0.212 -3.238 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -3.382 0.220 -3.888 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -0.952 -0.394 -4.183 0.00 0.00 +0.012 C ENDBRANCH 14 30 BRANCH 10 33 ATOM 33 O LIG 1 0.498 1.229 1.158 0.00 0.00 -0.417 OA BRANCH 33 34 ATOM 34 C LIG 1 1.326 0.938 2.182 0.00 0.00 +0.335 C ATOM 35 O LIG 1 1.034 0.936 3.369 0.00 0.00 -0.246 OA BRANCH 34 36 ATOM 36 C LIG 1 2.692 0.633 1.709 0.00 0.00 +0.092 C ATOM 37 C LIG 1 3.051 0.603 0.416 0.00 0.00 +0.015 C BRANCH 37 38 ATOM 38 C LIG 1 4.409 0.280 -0.047 0.00 0.00 -0.021 A ATOM 39 C LIG 1 5.554 0.708 0.636 0.00 0.00 +0.057 A ATOM 40 C LIG 1 6.811 0.396 0.133 0.00 0.00 +0.159 A ATOM 41 C LIG 1 6.951 -0.329 -1.047 0.00 0.00 +0.158 A ATOM 42 C LIG 1 5.828 -0.749 -1.747 0.00 0.00 +0.050 A ATOM 43 C LIG 1 4.558 -0.438 -1.246 0.00 0.00 +0.012 A BRANCH 40 44 ATOM 44 O LIG 1 7.921 0.814 0.810 0.00 0.00 -0.503 OA ATOM 45 H LIG 1 8.672 0.484 0.277 0.00 0.00 +0.292 HD ENDBRANCH 40 44 BRANCH 41 46 ATOM 46 O LIG 1 8.218 -0.600 -1.481 0.00 0.00 -0.503 OA ATOM 47 H LIG 1 8.153 -1.109 -2.307 0.00 0.00 +0.292 HD ENDBRANCH 41 46 ENDBRANCH 37 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 10