REMARK Name = BDB025627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.192 0.964 -0.132 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.855 -0.377 0.184 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.518 -0.763 0.336 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.530 0.162 0.181 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.175 1.481 -0.136 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.123 2.419 -0.283 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.154 1.880 -0.292 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -4.702 5.449 0.152 0.00 0.00 +0.105 C ATOM 9 N LIG 1 -4.741 3.997 -0.008 0.00 0.00 -0.302 NA ATOM 10 C LIG 1 -4.117 3.326 1.151 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -4.157 1.789 1.022 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -3.554 1.303 -0.244 0.00 0.00 -0.326 N ATOM 13 C LIG 1 -3.990 2.054 -1.442 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.049 3.587 -1.246 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 4 15 ATOM 15 C LIG 1 1.937 -0.249 0.345 0.00 0.00 +0.003 A ATOM 16 C LIG 1 2.945 0.170 -0.521 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.254 -0.180 -0.430 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 4.629 -0.987 0.576 0.00 0.00 +0.119 A ATOM 19 C LIG 1 3.692 -1.471 1.486 0.00 0.00 +0.044 A ATOM 20 C LIG 1 2.350 -1.098 1.374 0.00 0.00 +0.013 A BRANCH 18 21 ATOM 21 N LIG 1 5.954 -1.414 0.712 0.00 0.00 -0.326 N ATOM 22 H LIG 1 6.234 -1.303 1.682 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 6.991 -0.919 -0.201 0.00 0.00 +0.072 C ATOM 24 C LIG 1 6.803 -1.405 -1.648 0.00 0.00 +0.022 C ATOM 25 C LIG 1 7.325 -0.406 -2.682 0.00 0.00 +0.002 C ATOM 26 C LIG 1 8.617 0.255 -2.216 0.00 0.00 +0.000 C ATOM 27 C LIG 1 8.440 1.034 -0.911 0.00 0.00 +0.002 C ATOM 28 C LIG 1 7.231 0.590 -0.084 0.00 0.00 +0.022 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 4 15 BRANCH 2 29 ATOM 29 N LIG 1 -2.946 -1.267 0.297 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.833 -0.804 0.103 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.925 -2.607 0.587 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.954 -3.311 0.828 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -4.285 -3.214 0.552 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -5.275 -3.038 1.607 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -6.476 -3.640 1.487 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -6.791 -4.472 0.299 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.882 -5.012 0.176 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.788 -4.587 -0.631 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.996 -5.169 -1.435 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -4.560 -3.983 -0.513 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -4.915 -2.213 2.802 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.761 -2.611 3.386 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.773 -0.903 2.475 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.872 -2.259 3.767 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7