REMARK Name = BDB026280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.292 -1.021 0.170 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.913 0.314 -0.111 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.559 0.617 -0.341 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.444 -0.371 -0.306 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.042 -1.681 -0.029 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.947 -2.672 0.011 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.291 -2.003 0.204 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.299 -3.946 -0.580 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.713 -2.481 -0.380 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.342 -2.148 0.920 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.525 -2.935 1.233 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.406 -1.973 2.056 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.885 -3.261 2.712 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.213 -1.038 1.695 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.591 -1.462 0.431 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.517 -1.540 -0.711 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.856 -0.027 -0.558 0.00 0.00 -0.010 A ATOM 18 C LIG 1 2.877 -0.464 0.298 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.213 -0.134 0.052 0.00 0.00 +0.139 A ATOM 20 F LIG 1 5.132 -0.594 0.917 0.00 0.00 -0.205 F ATOM 21 C LIG 1 4.585 0.639 -1.048 0.00 0.00 +0.107 A ATOM 22 C LIG 1 3.571 1.075 -1.901 0.00 0.00 +0.139 A ATOM 23 F LIG 1 3.835 1.835 -2.973 0.00 0.00 -0.205 F ATOM 24 C LIG 1 2.230 0.752 -1.663 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 6.001 0.989 -1.336 0.00 0.00 +0.250 C ATOM 26 N LIG 1 6.916 0.803 -0.316 0.00 0.00 -0.308 N ATOM 27 H LIG 1 6.625 0.298 0.514 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 6.330 1.417 -2.436 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 8.349 0.981 -0.527 0.00 0.00 +0.073 C ATOM 30 C LIG 1 8.933 -0.253 -1.238 0.00 0.00 +0.022 C ATOM 31 C LIG 1 10.400 -0.469 -0.889 0.00 0.00 +0.002 C ATOM 32 C LIG 1 10.597 -0.702 0.610 0.00 0.00 +0.000 C ATOM 33 C LIG 1 9.571 0.027 1.481 0.00 0.00 +0.002 C ATOM 34 C LIG 1 9.052 1.291 0.806 0.00 0.00 +0.022 C ENDBRANCH 26 29 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 35 ATOM 35 N LIG 1 -2.922 1.302 -0.165 0.00 0.00 -0.280 N ATOM 36 H LIG 1 -3.857 0.941 -0.039 0.00 0.00 +0.155 HD ATOM 37 C LIG 1 -2.781 2.656 -0.358 0.00 0.00 +0.250 C ATOM 38 O LIG 1 -1.750 3.301 -0.473 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 -4.094 3.359 -0.373 0.00 0.00 +0.065 A ATOM 40 C LIG 1 -4.994 3.354 -1.521 0.00 0.00 +0.073 A ATOM 41 C LIG 1 -6.162 4.022 -1.442 0.00 0.00 +0.083 A ATOM 42 C LIG 1 -6.531 4.758 -0.207 0.00 0.00 +0.249 A ATOM 43 O LIG 1 -7.595 5.357 -0.120 0.00 0.00 -0.268 OA ATOM 44 N LIG 1 -5.610 4.716 0.810 0.00 0.00 -0.328 N ATOM 45 H LIG 1 -5.854 5.236 1.646 0.00 0.00 +0.168 HD ATOM 46 C LIG 1 -4.416 4.042 0.736 0.00 0.00 +0.099 A BRANCH 40 47 ATOM 47 C LIG 1 -4.575 2.624 -2.759 0.00 0.00 +0.418 C ATOM 48 F LIG 1 -4.512 1.285 -2.542 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -5.450 2.801 -3.783 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -3.362 3.017 -3.212 0.00 0.00 -0.166 F ENDBRANCH 40 47 ENDBRANCH 37 39 ENDBRANCH 2 35 TORSDOF 7