REMARK Name = BDB065059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.839 1.786 -2.537 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 2.189 0.491 -3.115 0.00 0.00 -0.288 N ATOM 3 C LIG 1 2.765 -0.495 -2.270 0.00 0.00 +0.148 A ATOM 4 C LIG 1 3.059 -1.741 -2.805 0.00 0.00 +0.036 A ATOM 5 C LIG 1 3.587 -2.662 -1.924 0.00 0.00 +0.124 A ATOM 6 N LIG 1 3.804 -2.411 -0.620 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 3.488 -1.173 -0.203 0.00 0.00 +0.165 A ATOM 8 C LIG 1 2.813 -2.036 -4.207 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.269 -1.092 -4.981 0.00 0.00 +0.071 A ATOM 10 N LIG 1 2.993 -0.194 -0.978 0.00 0.00 -0.209 NA ATOM 11 C LIG 1 1.907 0.246 -4.446 0.00 0.00 +0.253 A ATOM 12 O LIG 1 1.380 1.050 -5.211 0.00 0.00 -0.268 OA BRANCH 7 13 ATOM 13 C LIG 1 3.657 -0.873 1.210 0.00 0.00 +0.056 A ATOM 14 C LIG 1 2.587 -1.005 2.115 0.00 0.00 +0.053 A ATOM 15 CL LIG 1 1.019 -1.548 1.608 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 2.744 -0.703 3.474 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.975 -0.266 3.956 0.00 0.00 +0.003 A ATOM 18 C LIG 1 5.047 -0.129 3.079 0.00 0.00 +0.021 A ATOM 19 C LIG 1 4.890 -0.428 1.720 0.00 0.00 +0.053 A ATOM 20 CL LIG 1 6.276 -0.214 0.702 0.00 0.00 -0.083 Cl ENDBRANCH 7 13 ENDBRANCH 1 2 BRANCH 1 24 ATOM 21 C LIG 1 -1.732 1.579 -0.098 0.00 0.00 +0.017 A ATOM 22 C LIG 1 -0.498 1.889 0.481 0.00 0.00 +0.012 A ATOM 23 C LIG 1 0.650 1.963 -0.309 0.00 0.00 +0.006 A ATOM 24 C LIG 1 0.582 1.738 -1.692 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -0.664 1.465 -2.273 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -1.813 1.387 -1.482 0.00 0.00 +0.012 A BRANCH 21 28 ATOM 27 N LIG 1 -3.549 0.267 1.051 0.00 0.00 -0.327 N ATOM 28 C LIG 1 -2.917 1.456 0.744 0.00 0.00 +0.142 A ATOM 29 N LIG 1 -3.524 2.462 1.346 0.00 0.00 -0.224 NA ATOM 30 C LIG 1 -4.612 1.932 2.022 0.00 0.00 +0.162 A ATOM 31 C LIG 1 -4.636 0.562 1.834 0.00 0.00 +0.120 A BRANCH 30 32 ATOM 32 C LIG 1 -5.556 2.785 2.818 0.00 0.00 +0.436 C ATOM 33 F LIG 1 -4.968 3.311 3.925 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -6.056 3.825 2.100 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -6.631 2.072 3.259 0.00 0.00 -0.164 F ENDBRANCH 30 32 BRANCH 27 37 ATOM 36 C LIG 1 -4.121 -1.684 -0.348 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -3.135 -1.076 0.649 0.00 0.00 +0.083 C ATOM 38 C LIG 1 -2.928 -1.995 1.855 0.00 0.00 +0.030 C ENDBRANCH 27 37 ENDBRANCH 21 28 ENDBRANCH 1 24 TORSDOF 6