REMARK Name = BDB064369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.450 0.515 0.189 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.450 1.467 -0.043 0.00 0.00 +0.255 C ATOM 3 O LIG 1 0.695 2.635 -0.356 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.995 1.077 -0.021 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -1.785 1.789 -0.958 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -3.164 1.589 -1.087 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.771 0.640 -0.267 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.018 -0.078 0.676 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.622 0.144 0.816 0.00 0.00 +0.140 A ATOM 10 O LIG 1 -1.061 -0.605 1.810 0.00 0.00 -0.489 OA ATOM 11 C LIG 1 0.334 -0.560 2.061 0.00 0.00 +0.248 C ATOM 12 C LIG 1 1.143 -0.781 0.795 0.00 0.00 +0.155 C ENDROOT BRANCH 1 21 ATOM 13 C LIG 1 4.547 -1.830 -1.831 0.00 0.00 -0.043 A ATOM 14 C LIG 1 3.545 -1.043 -1.254 0.00 0.00 +0.015 A ATOM 15 C LIG 1 3.835 0.098 -0.456 0.00 0.00 +0.026 A ATOM 16 C LIG 1 5.185 0.494 -0.305 0.00 0.00 +0.114 A ATOM 17 N LIG 1 5.526 1.605 0.388 0.00 0.00 -0.251 NA ATOM 18 C LIG 1 4.556 2.366 0.926 0.00 0.00 +0.113 A ATOM 19 C LIG 1 3.218 2.062 0.850 0.00 0.00 +0.044 A ATOM 20 C LIG 1 6.175 -0.306 -0.900 0.00 0.00 +0.146 A ATOM 21 C LIG 1 2.840 0.899 0.176 0.00 0.00 +0.047 A ATOM 22 C LIG 1 5.872 -1.465 -1.622 0.00 0.00 +0.051 A BRANCH 13 24 ATOM 23 C LIG 1 4.180 -4.310 -1.773 0.00 0.00 +0.009 C ATOM 24 C LIG 1 4.202 -3.057 -2.635 0.00 0.00 +0.032 C ENDBRANCH 13 24 BRANCH 20 25 ATOM 25 O LIG 1 7.523 -0.044 -0.767 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 7.888 1.163 -1.441 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 1 21 BRANCH 8 27 ATOM 27 C LIG 1 -3.716 -1.056 1.501 0.00 0.00 +0.035 A ATOM 28 C LIG 1 -3.498 -2.455 1.696 0.00 0.00 +0.173 A ATOM 29 N LIG 1 -4.393 -2.955 2.577 0.00 0.00 -0.167 NA ATOM 30 N LIG 1 -5.140 -1.897 2.937 0.00 0.00 -0.273 N ATOM 31 C LIG 1 -6.193 -2.069 3.909 0.00 0.00 +0.172 C ATOM 32 C LIG 1 -4.791 -0.743 2.306 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 -2.450 -3.316 1.043 0.00 0.00 +0.437 C ATOM 34 F LIG 1 -2.895 -4.572 0.762 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -2.016 -2.805 -0.145 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -1.338 -3.466 1.818 0.00 0.00 -0.164 F ENDBRANCH 28 33 ENDBRANCH 8 27 BRANCH 6 37 ATOM 37 C LIG 1 -3.971 2.396 -2.074 0.00 0.00 +0.157 C BRANCH 37 38 ATOM 38 N LIG 1 -4.838 3.348 -1.398 0.00 0.00 -0.332 N ATOM 39 C LIG 1 -6.201 3.281 -1.337 0.00 0.00 +0.199 A ATOM 40 N LIG 1 -6.701 4.284 -0.651 0.00 0.00 -0.244 NA ATOM 41 C LIG 1 -5.619 5.037 -0.273 0.00 0.00 +0.130 A ATOM 42 C LIG 1 -4.449 4.479 -0.735 0.00 0.00 +0.107 A ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 7