REMARK Name = BDB003464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.386 3.416 -0.172 0.00 0.00 -0.256 N ATOM 2 C LIG 1 -1.250 2.584 -0.841 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -1.198 2.982 -2.173 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -1.952 2.286 -3.122 0.00 0.00 +0.123 A ATOM 5 N LIG 1 -2.713 1.224 -2.747 0.00 0.00 -0.251 NA ATOM 6 C LIG 1 -2.747 0.849 -1.437 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -0.321 4.085 -2.178 0.00 0.00 +0.144 A ATOM 8 C LIG 1 -2.044 1.519 -0.437 0.00 0.00 +0.175 A ATOM 9 F LIG 1 -2.142 1.162 0.850 0.00 0.00 -0.201 F ATOM 10 N LIG 1 0.165 4.365 -0.966 0.00 0.00 -0.178 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.578 -0.312 -1.126 0.00 0.00 +0.086 A ATOM 12 C LIG 1 -4.968 -0.299 -1.262 0.00 0.00 +0.060 A ATOM 13 N LIG 1 -5.721 -1.385 -0.939 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -5.084 -2.465 -0.473 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -3.766 -2.580 -0.295 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -3.038 -1.503 -0.647 0.00 0.00 +0.232 A BRANCH 12 17 ATOM 17 C LIG 1 -5.714 0.922 -1.772 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -7.032 1.337 -1.158 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -5.805 2.161 -0.907 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -1.665 -1.562 -0.493 0.00 0.00 -0.416 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.194 -2.869 -0.216 0.00 0.00 +0.542 C ATOM 22 F LIG 1 -1.273 -3.618 -1.347 0.00 0.00 -0.166 F ATOM 23 F LIG 1 0.135 -2.750 0.057 0.00 0.00 -0.166 F ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 6 11 BRANCH 1 24 ATOM 24 C LIG 1 -0.002 3.338 1.235 0.00 0.00 +0.179 C BRANCH 24 28 ATOM 25 C LIG 1 2.534 -0.113 1.853 0.00 0.00 +0.017 A ATOM 26 C LIG 1 2.982 0.963 1.081 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.172 2.087 0.898 0.00 0.00 +0.006 A ATOM 28 C LIG 1 0.903 2.156 1.491 0.00 0.00 -0.026 A ATOM 29 C LIG 1 0.483 1.100 2.312 0.00 0.00 +0.006 A ATOM 30 C LIG 1 1.293 -0.025 2.490 0.00 0.00 +0.012 A BRANCH 25 32 ATOM 31 N LIG 1 3.677 -2.170 0.959 0.00 0.00 -0.318 N ATOM 32 C LIG 1 3.333 -1.328 1.994 0.00 0.00 +0.142 A ATOM 33 N LIG 1 3.774 -1.817 3.140 0.00 0.00 -0.224 NA ATOM 34 C LIG 1 4.481 -2.971 2.844 0.00 0.00 +0.162 A ATOM 35 C LIG 1 4.431 -3.190 1.478 0.00 0.00 +0.121 A BRANCH 34 36 ATOM 36 C LIG 1 5.141 -3.813 3.897 0.00 0.00 +0.436 C ATOM 37 F LIG 1 5.263 -3.185 5.095 0.00 0.00 -0.164 F ATOM 38 F LIG 1 6.394 -4.190 3.525 0.00 0.00 -0.164 F ATOM 39 F LIG 1 4.448 -4.962 4.126 0.00 0.00 -0.164 F ENDBRANCH 34 36 BRANCH 31 40 ATOM 40 C LIG 1 3.234 -2.082 -0.426 0.00 0.00 +0.212 C BRANCH 40 43 ATOM 41 C LIG 1 5.866 -0.043 -2.877 0.00 0.00 +0.106 C ATOM 42 C LIG 1 4.949 -0.766 -1.996 0.00 0.00 -0.104 C ATOM 43 C LIG 1 4.188 -1.358 -1.279 0.00 0.00 -0.081 C ENDBRANCH 40 43 ENDBRANCH 31 40 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 10