REMARK Name = BDB064963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.791 0.009 -0.497 0.00 0.00 -0.307 N ATOM 2 C LIG 1 1.489 0.239 -0.035 0.00 0.00 +0.260 A ATOM 3 O LIG 1 0.995 -0.338 0.933 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 0.688 1.266 -0.796 0.00 0.00 +0.047 A ATOM 5 C LIG 1 1.242 1.881 -1.855 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.593 1.582 -2.289 0.00 0.00 +0.072 A ATOM 7 C LIG 1 3.302 0.667 -1.611 0.00 0.00 +0.102 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -0.698 1.571 -0.410 0.00 0.00 -0.012 A ATOM 9 C LIG 1 -1.679 0.570 -0.491 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -3.014 0.760 -0.062 0.00 0.00 -0.033 A ATOM 11 C LIG 1 -3.322 2.055 0.402 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -2.366 3.076 0.462 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -1.055 2.833 0.066 0.00 0.00 +0.009 A BRANCH 10 14 ATOM 14 C LIG 1 -4.084 -0.456 -0.113 0.00 0.00 +0.056 C ATOM 15 C LIG 1 -5.485 -0.293 0.571 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -6.177 -0.784 -0.717 0.00 0.00 -0.012 C ATOM 17 C LIG 1 -6.754 -2.189 -0.680 0.00 0.00 +0.007 C ATOM 18 C LIG 1 -4.847 -0.597 -1.473 0.00 0.00 +0.022 C BRANCH 14 19 ATOM 19 C LIG 1 -3.386 -1.812 0.358 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -2.734 -2.043 1.539 0.00 0.00 -0.320 N ATOM 21 C LIG 1 -2.530 -1.136 2.634 0.00 0.00 +0.151 C ATOM 22 C LIG 1 -2.269 -3.320 1.468 0.00 0.00 +0.224 A ATOM 23 N LIG 1 -2.619 -3.852 0.321 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 -3.315 -2.899 -0.384 0.00 0.00 -0.134 NA ENDBRANCH 14 19 ENDBRANCH 10 14 ENDBRANCH 4 8 BRANCH 6 25 ATOM 25 C LIG 1 3.124 2.314 -3.489 0.00 0.00 +0.419 C ATOM 26 F LIG 1 3.153 3.656 -3.283 0.00 0.00 -0.166 F ATOM 27 F LIG 1 4.387 1.940 -3.817 0.00 0.00 -0.166 F ATOM 28 F LIG 1 2.355 2.102 -4.588 0.00 0.00 -0.166 F ENDBRANCH 6 25 BRANCH 1 30 ATOM 29 C LIG 1 3.719 -2.287 -0.643 0.00 0.00 +0.036 C ATOM 30 C LIG 1 3.598 -1.015 0.199 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 C LIG 1 4.911 -0.427 0.640 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.112 0.548 1.601 0.00 0.00 +0.113 A ATOM 33 N LIG 1 6.456 0.765 1.663 0.00 0.00 -0.274 N ATOM 34 C LIG 1 7.150 1.695 2.518 0.00 0.00 +0.172 C ATOM 35 N LIG 1 7.157 -0.001 0.809 0.00 0.00 -0.180 NA ATOM 36 C LIG 1 6.222 -0.729 0.196 0.00 0.00 +0.140 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 6