REMARK Name = BDB058814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.324 0.123 -0.790 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.938 -0.195 0.436 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.142 -0.570 1.518 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.249 -0.606 1.388 0.00 0.00 +0.049 A ATOM 5 C LIG 1 0.865 -0.283 0.178 0.00 0.00 +0.122 A ATOM 6 C LIG 1 0.075 0.077 -0.912 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.349 1.772 -2.368 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -2.125 0.505 -1.963 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -3.176 2.021 -3.578 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -3.428 3.116 -4.050 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -3.652 0.906 -4.158 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -4.165 1.245 -4.920 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -1.789 3.007 -1.699 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 -4.022 3.987 -0.905 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -2.623 3.529 -0.521 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -3.308 -0.155 0.465 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.939 0.099 1.722 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -4.351 -1.167 2.442 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -4.709 -2.325 1.733 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -5.111 -3.476 2.413 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -5.168 -3.468 3.801 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -5.556 -4.572 4.453 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -4.834 -2.329 4.522 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -4.431 -1.177 3.845 0.00 0.00 +0.010 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 2.230 -0.363 0.197 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 2.914 -0.112 -1.029 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 4.393 -0.274 -0.778 0.00 0.00 -0.008 A ATOM 28 C LIG 1 5.085 -1.394 -1.269 0.00 0.00 +0.035 A ATOM 29 C LIG 1 6.444 -1.577 -1.052 0.00 0.00 +0.071 A ATOM 30 C LIG 1 7.138 -0.603 -0.304 0.00 0.00 +0.000 A ATOM 31 C LIG 1 8.509 -0.794 -0.087 0.00 0.00 +0.011 A ATOM 32 C LIG 1 9.141 -1.917 -0.607 0.00 0.00 +0.020 A ATOM 33 C LIG 1 8.377 -2.814 -1.328 0.00 0.00 +0.111 A ATOM 34 C LIG 1 6.458 0.518 0.202 0.00 0.00 +0.010 A ATOM 35 N LIG 1 7.054 -2.665 -1.557 0.00 0.00 -0.255 NA ATOM 36 C LIG 1 5.093 0.679 -0.033 0.00 0.00 +0.007 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11