REMARK Name = BDB064328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.066 0.406 -1.362 0.00 0.00 +0.149 C ATOM 2 C LIG 1 -0.424 -0.666 -0.361 0.00 0.00 +0.058 C ATOM 3 C LIG 1 -1.964 -0.461 -0.334 0.00 0.00 +0.037 C ATOM 4 C LIG 1 -2.600 -1.023 0.906 0.00 0.00 -0.017 A ATOM 5 C LIG 1 -3.288 -2.193 0.574 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -3.874 -2.979 1.548 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.812 -2.541 2.871 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -3.153 -1.349 3.208 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -4.545 -3.481 4.114 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -3.222 -2.528 -0.806 0.00 0.00 -0.343 N ATOM 11 H LIG 1 -2.538 -3.280 -0.913 0.00 0.00 +0.146 HD ATOM 12 C LIG 1 -2.532 -0.582 2.220 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.732 -1.268 -1.418 0.00 0.00 +0.115 C ATOM 14 C LIG 1 -2.043 1.073 -0.494 0.00 0.00 +0.068 C ATOM 15 N LIG 1 -1.091 1.316 -1.595 0.00 0.00 -0.301 NA ATOM 16 H LIG 1 -0.745 2.281 -1.551 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 0.111 -2.078 -0.560 0.00 0.00 -0.041 A ATOM 18 C LIG 1 0.353 -2.639 -1.825 0.00 0.00 +0.007 A ATOM 19 C LIG 1 0.863 -3.934 -1.945 0.00 0.00 +0.038 A ATOM 20 C LIG 1 1.129 -4.679 -0.804 0.00 0.00 +0.123 A ATOM 21 F LIG 1 1.622 -5.918 -0.924 0.00 0.00 -0.205 F ATOM 22 C LIG 1 0.889 -4.156 0.457 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.381 -2.861 0.578 0.00 0.00 +0.007 A ENDBRANCH 2 17 BRANCH 1 26 ATOM 24 N LIG 1 2.383 0.405 -0.605 0.00 0.00 -0.281 N ATOM 25 H LIG 1 2.327 -0.580 -0.860 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 1.267 1.196 -0.791 0.00 0.00 +0.235 C ATOM 27 O LIG 1 1.185 2.400 -0.558 0.00 0.00 -0.274 OA BRANCH 24 29 ATOM 28 C LIG 1 4.599 -0.270 0.024 0.00 0.00 +0.142 A ATOM 29 C LIG 1 3.640 0.764 -0.076 0.00 0.00 +0.076 A ATOM 30 C LIG 1 3.962 2.053 0.354 0.00 0.00 +0.028 A ATOM 31 C LIG 1 5.232 2.326 0.868 0.00 0.00 +0.017 A ATOM 32 C LIG 1 6.188 1.307 0.940 0.00 0.00 +0.062 A ATOM 33 C LIG 1 5.869 0.006 0.533 0.00 0.00 +0.062 A BRANCH 28 35 ATOM 34 C LIG 1 5.045 -2.607 -0.183 0.00 0.00 +0.277 C ATOM 35 O LIG 1 4.175 -1.504 -0.414 0.00 0.00 -0.493 OA ENDBRANCH 28 35 BRANCH 32 36 ATOM 36 C LIG 1 7.543 1.558 1.479 0.00 0.00 +0.337 C ATOM 37 O LIG 1 8.135 0.753 2.177 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 8.069 2.733 1.080 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 7.560 3.202 0.392 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 24 29 ENDBRANCH 1 26 BRANCH 14 40 ATOM 40 C LIG 1 -3.440 1.652 -0.797 0.00 0.00 +0.025 C BRANCH 40 41 ATOM 41 C LIG 1 -3.690 3.143 -0.426 0.00 0.00 -0.036 C ATOM 42 C LIG 1 -3.651 3.338 1.101 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -5.102 3.522 -0.921 0.00 0.00 +0.010 C ATOM 44 C LIG 1 -2.679 4.095 -1.080 0.00 0.00 +0.010 C ENDBRANCH 40 41 ENDBRANCH 14 40 TORSDOF 8