REMARK Name = BDB034325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.452 -0.100 -0.300 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -4.200 -1.032 0.719 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -2.917 -1.374 1.130 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -1.802 -0.754 0.520 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.498 -1.109 0.984 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.406 -2.117 1.945 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.563 -2.660 2.470 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -2.051 0.175 -0.519 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -2.802 -2.296 2.095 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -3.351 0.497 -0.918 0.00 0.00 +0.009 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -7.575 1.891 -1.155 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -8.462 0.859 -1.493 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -8.057 -0.484 -1.445 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -6.738 -0.781 -1.060 0.00 0.00 +0.021 A ATOM 15 C LIG 1 -5.827 0.229 -0.708 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -6.268 1.562 -0.758 0.00 0.00 +0.021 A BRANCH 11 18 ATOM 17 F LIG 1 -9.020 3.567 -2.076 0.00 0.00 -0.166 F ATOM 18 C LIG 1 -8.023 3.334 -1.179 0.00 0.00 +0.417 C ATOM 19 F LIG 1 -8.497 3.747 0.027 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -7.020 4.197 -1.505 0.00 0.00 -0.166 F ENDBRANCH 11 18 BRANCH 13 21 ATOM 21 C LIG 1 -9.005 -1.592 -1.838 0.00 0.00 +0.417 C ATOM 22 F LIG 1 -8.906 -1.910 -3.157 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -10.312 -1.274 -1.625 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -8.788 -2.749 -1.154 0.00 0.00 -0.166 F ENDBRANCH 13 21 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 N LIG 1 0.642 -0.539 0.392 0.00 0.00 -0.343 N ATOM 26 H LIG 1 0.476 0.417 0.090 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 1.989 -0.713 0.932 0.00 0.00 +0.103 C BRANCH 27 28 ATOM 28 C LIG 1 2.215 0.165 2.161 0.00 0.00 +0.034 C BRANCH 28 29 ATOM 29 C LIG 1 3.586 -0.041 2.814 0.00 0.00 +0.083 C BRANCH 29 30 ATOM 30 N LIG 1 4.707 0.407 1.996 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 4.413 1.061 1.273 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 5.461 -0.693 1.400 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 C LIG 1 6.507 -0.168 0.444 0.00 0.00 -0.033 A ATOM 34 C LIG 1 6.330 -0.306 -0.945 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.305 0.197 -1.829 0.00 0.00 -0.000 A ATOM 36 C LIG 1 8.429 0.830 -1.299 0.00 0.00 +0.046 A ATOM 37 N LIG 1 9.211 1.223 -2.362 0.00 0.00 -0.361 N ATOM 38 H LIG 1 10.093 1.709 -2.275 0.00 0.00 +0.165 HD ATOM 39 C LIG 1 8.621 0.860 -3.544 0.00 0.00 +0.083 A ATOM 40 C LIG 1 8.629 0.989 0.076 0.00 0.00 +0.026 A ATOM 41 C LIG 1 7.438 0.223 -3.245 0.00 0.00 +0.027 A ATOM 42 C LIG 1 7.648 0.481 0.934 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 10