REMARK Name = BDB045911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.634 1.251 0.219 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -1.014 -0.009 -0.290 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -2.349 -0.221 -0.686 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -3.310 0.793 -0.586 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -2.923 2.034 -0.079 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.601 2.261 0.317 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.090 -1.183 -0.441 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.257 -0.953 -0.310 0.00 0.00 -0.307 N ATOM 9 H LIG 1 1.554 -0.040 0.018 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -0.539 -2.301 -0.678 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 2.212 -2.032 -0.325 0.00 0.00 +0.139 C BRANCH 11 12 ATOM 12 C LIG 1 3.619 -1.499 -0.279 0.00 0.00 -0.030 A ATOM 13 C LIG 1 4.252 -1.072 -1.454 0.00 0.00 +0.006 A ATOM 14 C LIG 1 5.546 -0.548 -1.413 0.00 0.00 +0.013 A ATOM 15 C LIG 1 6.232 -0.439 -0.194 0.00 0.00 +0.055 A ATOM 16 C LIG 1 5.589 -0.849 0.983 0.00 0.00 +0.013 A ATOM 17 C LIG 1 4.295 -1.372 0.941 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 7.620 0.150 -0.144 0.00 0.00 +0.417 C ATOM 19 F LIG 1 8.331 -0.052 -1.289 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.602 1.498 0.052 0.00 0.00 -0.166 F ATOM 21 F LIG 1 8.383 -0.363 0.861 0.00 0.00 -0.166 F ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 2 7 BRANCH 1 23 ATOM 22 C LIG 1 1.059 2.687 1.126 0.00 0.00 +0.277 C ATOM 23 O LIG 1 0.672 1.419 0.607 0.00 0.00 -0.494 OA ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 C LIG 1 -4.745 0.540 -0.990 0.00 0.00 +0.049 C BRANCH 24 25 ATOM 25 C LIG 1 -5.622 0.105 0.191 0.00 0.00 +0.099 C ATOM 26 C LIG 1 -7.105 0.192 -0.165 0.00 0.00 +0.019 C BRANCH 25 27 ATOM 27 C LIG 1 -5.301 -1.320 0.572 0.00 0.00 +0.308 C ATOM 28 O LIG 1 -5.468 -2.310 -0.121 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 -4.778 -1.426 1.807 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 -4.572 -2.381 1.897 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9