REMARK Name = BDB026142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.917 1.031 0.226 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.337 -0.205 -0.141 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.049 -0.321 -0.296 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.901 0.781 -0.090 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.299 1.997 0.271 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.055 3.084 0.492 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.080 2.130 0.427 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.395 4.007 -1.085 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.740 3.182 0.032 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.757 2.734 1.021 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.226 3.837 1.863 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.271 1.606 1.863 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.088 0.361 1.499 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.746 1.329 1.764 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.324 1.104 0.364 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.977 1.995 -0.626 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.357 0.654 -0.248 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.153 1.610 -0.847 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.493 1.514 -1.006 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.103 0.410 -0.545 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.421 -0.579 0.054 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.083 -0.437 0.187 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.481 0.272 -0.725 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.115 -0.653 0.227 0.00 0.00 +0.142 C ATOM 25 C LIG 1 8.622 -0.841 -0.103 0.00 0.00 +0.080 C ATOM 26 C LIG 1 8.819 -1.694 -1.366 0.00 0.00 +0.043 C ATOM 27 C LIG 1 9.309 -1.549 1.074 0.00 0.00 +0.043 C ATOM 28 O LIG 1 9.295 0.431 -0.236 0.00 0.00 -0.371 OA ATOM 29 C LIG 1 8.668 1.297 -1.192 0.00 0.00 +0.179 C ATOM 30 C LIG 1 7.190 1.550 -0.868 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -2.245 -1.268 -0.326 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.208 -0.975 -0.159 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.977 -2.552 -0.730 0.00 0.00 +0.249 C ATOM 34 O LIG 1 -0.899 -3.034 -1.048 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.175 -3.416 -0.818 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -3.905 -3.796 0.321 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -5.042 -4.604 0.143 0.00 0.00 +0.051 A ATOM 38 C LIG 1 -5.409 -5.032 -1.130 0.00 0.00 +0.124 A ATOM 39 F LIG 1 -6.492 -5.805 -1.276 0.00 0.00 -0.205 F ATOM 40 C LIG 1 -4.667 -4.676 -2.249 0.00 0.00 +0.039 A ATOM 41 C LIG 1 -3.542 -3.868 -2.095 0.00 0.00 +0.016 A BRANCH 36 42 ATOM 42 C LIG 1 -3.497 -3.360 1.702 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.170 -3.503 1.954 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.796 -2.053 1.935 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.133 -4.056 2.688 0.00 0.00 -0.166 F ENDBRANCH 36 42 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 6