REMARK Name = BDB052073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.076 -1.356 -0.877 0.00 0.00 +0.120 A ATOM 2 C LIG 1 -2.144 -0.110 -0.279 0.00 0.00 +0.163 A ATOM 3 O LIG 1 -0.933 0.502 -0.485 0.00 0.00 -0.436 OA ATOM 4 C LIG 1 -0.208 -0.398 -1.216 0.00 0.00 +0.235 A ATOM 5 N LIG 1 -0.857 -1.510 -1.504 0.00 0.00 -0.210 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.944 -4.364 -1.004 0.00 0.00 +0.318 A ATOM 7 N LIG 1 -4.150 -4.209 -2.076 0.00 0.00 -0.203 NA ATOM 8 C LIG 1 -3.227 -3.225 -1.990 0.00 0.00 +0.128 A ATOM 9 C LIG 1 -3.081 -2.390 -0.900 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -3.940 -2.662 0.145 0.00 0.00 +0.128 A ATOM 11 N LIG 1 -4.883 -3.629 0.116 0.00 0.00 -0.203 NA BRANCH 6 13 ATOM 12 C LIG 1 -5.902 -6.144 -2.168 0.00 0.00 +0.280 C ATOM 13 O LIG 1 -5.922 -5.333 -1.002 0.00 0.00 -0.466 OA ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 14 ATOM 14 C LIG 1 -3.124 0.688 0.441 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.468 0.711 0.051 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -5.398 1.484 0.754 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -5.006 2.256 1.851 0.00 0.00 +0.130 A ATOM 18 C LIG 1 -3.668 2.245 2.240 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -2.736 1.470 1.537 0.00 0.00 +0.015 A BRANCH 17 20 ATOM 20 O LIG 1 -6.019 2.961 2.436 0.00 0.00 -0.406 OA BRANCH 20 21 ATOM 21 C LIG 1 -5.693 3.801 3.530 0.00 0.00 +0.575 C ATOM 22 F LIG 1 -5.200 3.087 4.564 0.00 0.00 -0.133 F ATOM 23 F LIG 1 -4.800 4.747 3.167 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -6.817 4.425 3.948 0.00 0.00 -0.133 F ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 2 14 BRANCH 4 25 ATOM 25 C LIG 1 1.173 0.011 -1.595 0.00 0.00 +0.324 C BRANCH 25 26 ATOM 26 O LIG 1 1.972 -0.080 -0.415 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 3.295 0.241 -0.534 0.00 0.00 +0.122 A ATOM 28 C LIG 1 3.931 0.712 -1.681 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.307 1.010 -1.666 0.00 0.00 -0.005 A ATOM 30 C LIG 1 5.972 1.519 -2.917 0.00 0.00 +0.047 C ATOM 31 C LIG 1 6.051 0.829 -0.485 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.408 0.357 0.660 0.00 0.00 +0.049 A ATOM 33 C LIG 1 4.040 0.069 0.632 0.00 0.00 +0.049 A BRANCH 31 34 ATOM 34 O LIG 1 7.382 1.141 -0.575 0.00 0.00 -0.481 OA BRANCH 34 35 ATOM 35 C LIG 1 8.188 1.024 0.586 0.00 0.00 +0.349 C BRANCH 35 36 ATOM 36 C LIG 1 7.990 2.111 1.629 0.00 0.00 +0.343 C ATOM 37 O LIG 1 7.880 1.934 2.833 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 7.973 3.358 1.118 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 7.822 3.939 1.892 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 12