REMARK Name = BDB025866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.828 0.008 -0.021 0.00 0.00 +0.015 A ATOM 2 C LIG 1 1.580 1.235 0.611 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.591 1.969 1.100 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.290 1.748 0.746 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.803 1.036 0.248 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.574 -0.207 -0.386 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.724 -0.713 -0.510 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.139 1.502 0.357 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.632 1.425 1.756 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.023 2.110 1.884 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.071 1.288 1.108 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.970 3.560 1.549 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.251 4.144 1.184 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.805 3.924 0.703 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.918 5.265 -0.035 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.378 2.814 -0.300 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 21 ATOM 17 C LIG 1 7.224 -1.719 -0.573 0.00 0.00 +0.403 C ATOM 18 N LIG 1 5.877 -1.472 -0.368 0.00 0.00 -0.263 N ATOM 19 C LIG 1 5.284 -1.409 0.964 0.00 0.00 +0.116 C ATOM 20 C LIG 1 4.143 -0.391 1.020 0.00 0.00 +0.054 C ATOM 21 C LIG 1 3.199 -0.542 -0.147 0.00 0.00 -0.038 C ATOM 22 C LIG 1 3.614 -1.158 -1.271 0.00 0.00 -0.004 C ATOM 23 C LIG 1 4.984 -1.734 -1.484 0.00 0.00 +0.138 C ATOM 24 O LIG 1 7.710 -1.995 -1.665 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 7.956 -1.625 0.571 0.00 0.00 -0.451 OA BRANCH 25 27 ATOM 26 C LIG 1 10.029 -1.716 1.752 0.00 0.00 +0.048 C ATOM 27 C LIG 1 9.357 -1.866 0.401 0.00 0.00 +0.230 C ENDBRANCH 25 27 ENDBRANCH 17 25 ENDBRANCH 1 21 BRANCH 6 28 ATOM 28 N LIG 1 -1.729 -0.863 -0.862 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.573 -0.329 -0.658 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.814 -2.038 -1.562 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.899 -2.754 -1.944 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.221 -2.389 -1.900 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -4.192 -2.869 -0.923 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.444 -3.158 -1.329 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.837 -2.993 -2.751 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.976 -3.235 -3.126 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.846 -2.555 -3.595 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.108 -2.459 -4.571 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.567 -2.264 -3.191 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.754 -3.057 0.496 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.637 -3.813 0.605 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.500 -1.868 1.098 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.707 -3.665 1.251 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7