REMARK Name = BDB059872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.831 -0.338 -1.049 0.00 0.00 +0.132 A ATOM 2 C LIG 1 0.165 0.876 -1.201 0.00 0.00 +0.017 A ATOM 3 C LIG 1 0.865 2.203 -1.082 0.00 0.00 +0.059 C ATOM 4 C LIG 1 0.061 3.356 -1.686 0.00 0.00 +0.110 C ATOM 5 N LIG 1 -1.346 3.312 -1.247 0.00 0.00 -0.323 N ATOM 6 C LIG 1 -2.037 2.067 -1.631 0.00 0.00 +0.161 C ATOM 7 C LIG 1 -1.206 0.810 -1.431 0.00 0.00 +0.070 A ATOM 8 N LIG 1 -1.867 -0.362 -1.517 0.00 0.00 -0.198 NA ATOM 9 C LIG 1 -1.133 -1.471 -1.358 0.00 0.00 +0.320 A ATOM 10 N LIG 1 0.188 -1.511 -1.152 0.00 0.00 -0.180 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -1.574 3.870 0.025 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -1.588 5.305 0.225 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -1.652 5.774 1.572 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -1.610 7.146 1.872 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -1.532 8.104 0.871 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.526 7.696 -0.452 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -1.772 4.881 2.643 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -1.835 3.515 2.431 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -1.571 6.331 -0.778 0.00 0.00 +0.050 A ATOM 20 CL LIG 1 -1.689 6.020 -2.485 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -1.732 3.019 1.139 0.00 0.00 +0.024 A ENDBRANCH 5 11 BRANCH 1 26 ATOM 22 C LIG 1 6.004 -0.668 0.717 0.00 0.00 +0.275 C ATOM 23 N LIG 1 4.729 -1.117 0.401 0.00 0.00 -0.289 N ATOM 24 C LIG 1 4.425 -1.420 -1.022 0.00 0.00 +0.107 C ATOM 25 C LIG 1 2.897 -1.557 -1.278 0.00 0.00 +0.130 C ATOM 26 N LIG 1 2.213 -0.353 -0.767 0.00 0.00 -0.311 N ATOM 27 C LIG 1 2.485 -0.049 0.661 0.00 0.00 +0.125 C ATOM 28 C LIG 1 3.555 -0.975 1.279 0.00 0.00 +0.127 C ATOM 29 O LIG 1 6.869 -0.483 -0.138 0.00 0.00 -0.268 OA BRANCH 22 31 ATOM 30 C LIG 1 6.284 -1.394 3.078 0.00 0.00 +0.055 C ATOM 31 C LIG 1 6.331 -0.439 2.147 0.00 0.00 +0.178 C ATOM 32 F LIG 1 6.814 0.784 2.446 0.00 0.00 -0.201 F ENDBRANCH 22 31 BRANCH 24 33 ATOM 33 C LIG 1 5.187 -2.647 -1.559 0.00 0.00 +0.142 C BRANCH 33 34 ATOM 34 C LIG 1 4.892 -3.863 -0.788 0.00 0.00 +0.064 C ATOM 35 N LIG 1 4.647 -4.816 -0.173 0.00 0.00 -0.197 NA ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 1 26 BRANCH 9 36 ATOM 36 O LIG 1 -1.742 -2.704 -1.421 0.00 0.00 -0.461 OA BRANCH 36 37 ATOM 37 C LIG 1 -3.142 -2.633 -1.145 0.00 0.00 +0.251 C BRANCH 37 38 ATOM 38 C LIG 1 -3.684 -4.046 -0.868 0.00 0.00 +0.094 C ATOM 39 N LIG 1 -3.369 -4.544 0.491 0.00 0.00 -0.299 NA ATOM 40 C LIG 1 -2.033 -5.120 0.593 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -4.404 -5.533 0.800 0.00 0.00 +0.084 C ATOM 42 C LIG 1 -5.660 -4.828 0.333 0.00 0.00 +0.017 C ATOM 43 C LIG 1 -5.220 -4.070 -0.914 0.00 0.00 +0.023 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 9 36 TORSDOF 8