REMARK Name = BDB047798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.559 1.366 0.039 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -3.108 0.075 0.136 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.353 -1.079 -0.140 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -1.014 -0.913 -0.528 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.437 0.360 -0.643 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -1.216 1.488 -0.351 0.00 0.00 +0.015 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.744 6.071 1.225 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -4.934 4.842 0.938 0.00 0.00 -0.050 A ATOM 9 C LIG 1 -3.713 4.630 1.584 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.944 3.498 1.294 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -3.370 2.556 0.344 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -4.591 2.787 -0.308 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -5.361 3.918 -0.020 0.00 0.00 +0.004 A ENDBRANCH 1 11 BRANCH 3 14 ATOM 14 C LIG 1 -2.947 -2.420 -0.019 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -2.339 -3.412 0.767 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -2.901 -4.688 0.884 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -4.094 -5.005 0.220 0.00 0.00 +0.055 A ATOM 18 C LIG 1 -4.702 -4.023 -0.574 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -4.137 -2.748 -0.687 0.00 0.00 +0.009 A BRANCH 17 20 ATOM 20 C LIG 1 -4.690 -6.386 0.325 0.00 0.00 +0.417 C ATOM 21 F LIG 1 -4.233 -7.223 -0.647 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -6.048 -6.392 0.214 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -4.412 -7.002 1.508 0.00 0.00 -0.166 F ENDBRANCH 17 20 ENDBRANCH 3 14 BRANCH 5 24 ATOM 24 C LIG 1 1.005 0.503 -1.064 0.00 0.00 +0.264 C BRANCH 24 25 ATOM 25 O LIG 1 1.827 0.031 0.002 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 3.179 0.062 -0.190 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.841 0.498 -1.337 0.00 0.00 +0.052 A ATOM 28 C LIG 1 5.247 0.476 -1.406 0.00 0.00 -0.005 A ATOM 29 C LIG 1 5.938 0.949 -2.656 0.00 0.00 +0.047 C ATOM 30 C LIG 1 5.989 0.023 -0.302 0.00 0.00 +0.124 A ATOM 31 C LIG 1 5.324 -0.429 0.839 0.00 0.00 +0.049 A ATOM 32 C LIG 1 3.928 -0.403 0.891 0.00 0.00 +0.049 A BRANCH 30 33 ATOM 33 O LIG 1 7.351 0.009 -0.459 0.00 0.00 -0.481 OA BRANCH 33 34 ATOM 34 C LIG 1 8.150 0.069 0.724 0.00 0.00 +0.349 C BRANCH 34 35 ATOM 35 C LIG 1 8.586 -1.315 1.181 0.00 0.00 +0.343 C ATOM 36 O LIG 1 9.131 -1.541 2.251 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 8.331 -2.286 0.270 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 7.875 -1.907 -0.513 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 10