REMARK Name = BDB058329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.755 -0.763 -0.372 0.00 0.00 +0.177 A ATOM 2 N LIG 1 -2.479 -1.780 0.155 0.00 0.00 -0.242 N ATOM 3 C LIG 1 -3.790 -1.312 0.220 0.00 0.00 +0.356 A ATOM 4 O LIG 1 -4.769 -1.911 0.644 0.00 0.00 -0.244 OA ATOM 5 N LIG 1 -3.743 -0.022 -0.344 0.00 0.00 -0.180 N ATOM 6 N LIG 1 -2.458 0.285 -0.707 0.00 0.00 -0.145 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -2.090 -3.095 0.509 0.00 0.00 +0.088 A ATOM 8 C LIG 1 -1.117 -3.805 -0.208 0.00 0.00 +0.147 A ATOM 9 F LIG 1 -0.563 -3.280 -1.311 0.00 0.00 -0.203 F ATOM 10 C LIG 1 -0.739 -5.100 0.145 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -1.345 -5.726 1.230 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -2.333 -5.055 1.945 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.707 -3.755 1.583 0.00 0.00 +0.029 A ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 C LIG 1 -4.780 0.912 -0.556 0.00 0.00 +0.071 A ATOM 15 C LIG 1 -4.492 2.161 -1.129 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -5.499 3.107 -1.350 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -6.827 2.825 -1.009 0.00 0.00 +0.055 A ATOM 18 C LIG 1 -7.119 1.584 -0.429 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -6.107 0.639 -0.208 0.00 0.00 +0.028 A BRANCH 17 20 ATOM 20 C LIG 1 -7.915 3.847 -1.224 0.00 0.00 +0.417 C ATOM 21 F LIG 1 -7.642 4.721 -2.233 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -8.133 4.611 -0.118 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -9.118 3.288 -1.534 0.00 0.00 -0.166 F ENDBRANCH 17 20 ENDBRANCH 5 14 BRANCH 1 24 ATOM 24 C LIG 1 -0.245 -0.768 -0.518 0.00 0.00 +0.305 C BRANCH 24 25 ATOM 25 O LIG 1 0.258 0.497 -0.094 0.00 0.00 -0.484 OA BRANCH 25 29 ATOM 26 C LIG 1 4.319 1.382 -0.365 0.00 0.00 +0.122 A ATOM 27 C LIG 1 3.898 0.107 -0.732 0.00 0.00 +0.049 A ATOM 28 C LIG 1 2.542 -0.235 -0.653 0.00 0.00 +0.049 A ATOM 29 C LIG 1 1.603 0.703 -0.222 0.00 0.00 +0.121 A ATOM 30 C LIG 1 2.031 1.988 0.118 0.00 0.00 +0.049 A ATOM 31 C LIG 1 3.381 2.332 0.035 0.00 0.00 +0.049 A BRANCH 26 32 ATOM 32 O LIG 1 5.617 1.797 -0.443 0.00 0.00 -0.475 OA BRANCH 32 34 ATOM 33 C LIG 1 6.059 0.841 1.803 0.00 0.00 +0.067 C ATOM 34 C LIG 1 6.590 1.129 0.386 0.00 0.00 +0.200 C ATOM 35 C LIG 1 7.736 2.152 0.497 0.00 0.00 +0.067 C BRANCH 34 36 ATOM 36 C LIG 1 7.198 -0.134 -0.279 0.00 0.00 +0.348 C ATOM 37 O LIG 1 6.985 -0.490 -1.430 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 8.049 -0.842 0.507 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 8.221 -0.475 1.392 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 10