REMARK Name = BDB030979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.857 -0.591 -0.866 0.00 0.00 +0.080 A ATOM 2 C LIG 1 -3.839 0.809 -0.710 0.00 0.00 +0.166 A ATOM 3 C LIG 1 -2.706 1.416 -0.151 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -1.627 0.674 0.329 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.678 1.602 0.858 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.175 2.871 0.632 0.00 0.00 +0.093 A ATOM 7 C LIG 1 -1.680 -0.730 0.217 0.00 0.00 +0.013 A ATOM 8 N LIG 1 -2.397 2.745 0.025 0.00 0.00 -0.357 N ATOM 9 H LIG 1 -2.981 3.512 -0.283 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 -2.788 -1.346 -0.388 0.00 0.00 +0.028 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 0.618 1.339 1.460 0.00 0.00 +0.090 A ATOM 12 C LIG 1 0.941 1.720 2.742 0.00 0.00 +0.099 A ATOM 13 C LIG 1 2.216 1.383 3.130 0.00 0.00 +0.129 A ATOM 14 N LIG 1 3.093 0.724 2.347 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 2.686 0.392 1.119 0.00 0.00 +0.216 A ATOM 16 N LIG 1 1.468 0.666 0.651 0.00 0.00 -0.214 NA BRANCH 12 17 ATOM 17 C LIG 1 0.024 2.434 3.663 0.00 0.00 +0.421 C ATOM 18 F LIG 1 0.484 2.461 4.949 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -1.217 1.881 3.745 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -0.161 3.741 3.327 0.00 0.00 -0.166 F ENDBRANCH 12 17 BRANCH 15 21 ATOM 21 N LIG 1 3.524 -0.277 0.242 0.00 0.00 -0.309 N ATOM 22 H LIG 1 2.915 -0.666 -0.469 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 4.494 -1.200 0.843 0.00 0.00 +0.087 C ATOM 24 C LIG 1 5.803 -0.460 1.208 0.00 0.00 +0.103 C ATOM 25 N LIG 1 6.479 0.185 0.066 0.00 0.00 -0.312 NA ATOM 26 H LIG 1 6.038 1.099 -0.065 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 6.325 -0.554 -1.198 0.00 0.00 +0.051 C ATOM 28 C LIG 1 7.571 -0.315 -2.047 0.00 0.00 +0.024 C ATOM 29 C LIG 1 6.085 -2.052 -0.985 0.00 0.00 +0.020 C ATOM 30 C LIG 1 4.820 -2.324 -0.162 0.00 0.00 +0.025 C ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 5 11 BRANCH 1 32 ATOM 31 C LIG 1 -5.248 -2.462 -1.772 0.00 0.00 +0.404 C ATOM 32 N LIG 1 -4.971 -1.151 -1.520 0.00 0.00 -0.248 N ATOM 33 H LIG 1 -5.648 -0.503 -1.902 0.00 0.00 +0.158 HD ATOM 34 O LIG 1 -4.601 -3.444 -1.445 0.00 0.00 -0.226 OA BRANCH 31 36 ATOM 35 C LIG 1 -6.831 -3.842 -2.806 0.00 0.00 +0.282 C ATOM 36 O LIG 1 -6.416 -2.518 -2.467 0.00 0.00 -0.453 OA ENDBRANCH 31 36 ENDBRANCH 1 32 BRANCH 2 37 ATOM 37 O LIG 1 -4.904 1.567 -1.149 0.00 0.00 -0.479 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.806 1.808 -0.050 0.00 0.00 +0.342 C BRANCH 38 39 ATOM 39 C LIG 1 -7.002 2.620 -0.518 0.00 0.00 +0.424 C ATOM 40 F LIG 1 -7.859 2.837 0.506 0.00 0.00 -0.167 F ATOM 41 F LIG 1 -7.685 1.980 -1.493 0.00 0.00 -0.167 F ATOM 42 F LIG 1 -6.624 3.829 -0.992 0.00 0.00 -0.167 F ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 9