REMARK Name = BDB055727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.371 -2.414 0.855 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.219 -3.046 2.084 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.285 -3.415 2.807 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.054 -3.269 2.599 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.178 -2.858 1.877 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.035 -2.234 0.626 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.747 -2.020 0.113 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 O LIG 1 6.607 0.768 -2.672 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.608 0.457 -2.036 0.00 0.00 +0.244 C ATOM 10 C LIG 1 5.165 1.223 -0.838 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.116 0.745 -0.029 0.00 0.00 -0.010 A ATOM 12 C LIG 1 3.669 1.530 1.048 0.00 0.00 -0.040 A ATOM 13 C LIG 1 2.502 1.048 1.864 0.00 0.00 +0.054 C ATOM 14 C LIG 1 1.538 0.276 0.962 0.00 0.00 +0.113 C ATOM 15 N LIG 1 2.204 -0.861 0.314 0.00 0.00 -0.289 N ATOM 16 C LIG 1 1.718 -2.168 0.326 0.00 0.00 +0.250 C ATOM 17 O LIG 1 2.333 -3.127 -0.131 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.308 2.740 1.345 0.00 0.00 +0.004 A ATOM 19 C LIG 1 5.366 3.190 0.556 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.526 -0.633 -0.300 0.00 0.00 +0.125 C ATOM 21 C LIG 1 3.525 -0.862 -1.826 0.00 0.00 +0.131 C ATOM 22 C LIG 1 5.789 2.439 -0.540 0.00 0.00 +0.013 A ATOM 23 N LIG 1 4.830 -0.611 -2.408 0.00 0.00 -0.309 N ATOM 24 H LIG 1 5.092 -1.053 -3.281 0.00 0.00 +0.149 HD ENDBRANCH 1 16 BRANCH 6 25 ATOM 25 C LIG 1 -3.248 -1.764 -0.145 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.537 -0.268 -0.045 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.720 0.267 -0.771 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -4.973 1.633 -0.667 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.069 2.209 -1.322 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.915 1.409 -2.088 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.667 0.041 -2.198 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.073 2.469 0.142 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -4.258 3.674 0.268 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -3.022 1.820 0.740 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -2.398 2.381 1.311 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.573 -0.533 -1.543 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -2.749 0.491 0.660 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 3