REMARK Name = BDB025637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.149 0.979 -0.389 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.199 -0.388 -0.238 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.541 -0.782 -0.166 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.577 0.162 -0.262 0.00 0.00 +0.015 A ATOM 5 C LIG 1 2.216 1.507 -0.413 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.155 2.461 -0.512 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.882 1.913 -0.477 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -2.645 5.410 0.397 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -2.691 3.978 0.105 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -2.029 3.205 1.175 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -2.072 1.686 0.906 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -1.514 1.321 -0.419 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -1.992 2.178 -1.526 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -2.042 3.686 -1.188 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 3.993 -0.264 -0.171 0.00 0.00 -0.039 C ATOM 16 C LIG 1 4.952 0.585 0.635 0.00 0.00 +0.050 C ATOM 17 C LIG 1 6.244 -0.174 0.978 0.00 0.00 +0.086 C ATOM 18 N LIG 1 6.802 -0.847 -0.200 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 6.932 -0.154 -0.937 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 5.864 -1.857 -0.697 0.00 0.00 +0.108 C ATOM 21 C LIG 1 4.440 -1.386 -0.769 0.00 0.00 -0.008 C ENDBRANCH 4 15 BRANCH 2 22 ATOM 22 N LIG 1 -0.887 -1.290 -0.189 0.00 0.00 -0.280 N ATOM 23 H LIG 1 -1.780 -0.807 -0.275 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -0.855 -2.659 -0.123 0.00 0.00 +0.250 C ATOM 25 O LIG 1 0.127 -3.388 -0.093 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.218 -3.260 -0.148 0.00 0.00 +0.065 A ATOM 27 C LIG 1 -3.155 -3.195 0.968 0.00 0.00 +0.073 A ATOM 28 C LIG 1 -4.361 -3.785 0.848 0.00 0.00 +0.083 A ATOM 29 C LIG 1 -4.738 -4.492 -0.402 0.00 0.00 +0.249 A ATOM 30 O LIG 1 -5.836 -5.017 -0.525 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 -3.783 -4.510 -1.387 0.00 0.00 -0.328 N ATOM 32 H LIG 1 -4.032 -5.008 -2.235 0.00 0.00 +0.168 HD ATOM 33 C LIG 1 -2.549 -3.919 -1.270 0.00 0.00 +0.099 A BRANCH 27 34 ATOM 34 C LIG 1 -2.734 -2.503 2.226 0.00 0.00 +0.418 C ATOM 35 F LIG 1 -2.634 -1.161 2.042 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -3.627 -2.680 3.235 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -1.538 -2.937 2.690 0.00 0.00 -0.166 F ENDBRANCH 27 34 ENDBRANCH 24 26 ENDBRANCH 2 22 TORSDOF 5