REMARK Name = BDB025669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.505 0.469 -1.465 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.277 -0.808 -0.900 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.009 -1.356 -0.872 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.107 -0.659 -1.411 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.858 0.603 -1.971 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.861 1.318 -2.507 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.418 1.165 -1.999 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.462 -1.246 -1.379 0.00 0.00 -0.015 A ATOM 9 C LIG 1 3.571 -0.502 -0.934 0.00 0.00 +0.013 A ATOM 10 C LIG 1 4.862 -1.056 -0.892 0.00 0.00 -0.033 A ATOM 11 C LIG 1 5.045 -2.381 -1.307 0.00 0.00 +0.005 A ATOM 12 C LIG 1 3.963 -3.136 -1.748 0.00 0.00 +0.001 A ATOM 13 C LIG 1 2.685 -2.573 -1.784 0.00 0.00 +0.008 A BRANCH 10 14 ATOM 14 C LIG 1 6.039 -0.228 -0.420 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 6.745 -0.817 0.728 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 7.997 -0.091 1.032 0.00 0.00 +0.113 C ATOM 17 C LIG 1 7.870 0.881 2.216 0.00 0.00 +0.175 C ATOM 18 O LIG 1 7.483 0.238 3.437 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 6.700 -0.946 3.222 0.00 0.00 +0.175 C ATOM 20 C LIG 1 5.876 -0.884 1.927 0.00 0.00 +0.113 C ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 4 8 BRANCH 1 23 ATOM 21 C LIG 1 -3.982 3.032 -0.917 0.00 0.00 +0.075 C ATOM 22 C LIG 1 -2.983 1.998 -0.340 0.00 0.00 +0.124 C ATOM 23 N LIG 1 -2.821 0.995 -1.431 0.00 0.00 -0.327 N ATOM 24 C LIG 1 -3.308 1.594 -2.693 0.00 0.00 +0.107 C ATOM 25 C LIG 1 -3.554 3.069 -2.386 0.00 0.00 +0.039 C BRANCH 21 27 ATOM 26 C LIG 1 -2.880 5.137 -0.222 0.00 0.00 +0.104 C ATOM 27 N LIG 1 -4.090 4.315 -0.202 0.00 0.00 -0.304 NA ATOM 28 C LIG 1 -5.231 5.099 -0.682 0.00 0.00 +0.104 C ENDBRANCH 21 27 ENDBRANCH 1 23 BRANCH 2 29 ATOM 29 N LIG 1 -2.421 -1.457 -0.391 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.257 -0.884 -0.494 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.516 -2.707 0.165 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.634 -3.542 0.315 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.905 -3.013 0.601 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.427 -2.622 1.904 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.700 -2.934 2.221 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -6.562 -3.664 1.256 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.720 -3.950 1.531 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.981 -3.973 0.049 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -6.573 -4.468 -0.612 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -4.684 -3.667 -0.278 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.522 -1.888 2.846 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.138 -0.688 2.338 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.398 -2.585 3.139 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.129 -1.619 4.032 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8