REMARK Name = BDB025936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.674 0.639 -0.054 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.302 1.938 -0.415 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.197 2.770 -0.962 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.994 2.406 -0.229 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.997 1.585 0.304 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.664 0.251 0.640 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.333 -0.179 0.498 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.259 2.168 0.434 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.716 2.492 1.795 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.936 3.469 1.756 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.431 3.675 3.195 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -6.027 2.970 0.865 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -7.132 3.924 0.757 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.481 2.689 -0.487 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.317 1.677 -0.459 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.641 -0.797 -0.536 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.613 -1.634 -0.740 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 2.361 -1.148 -0.587 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.051 0.147 -0.225 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.179 0.921 -0.043 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.449 0.484 -0.197 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 7.947 0.961 -3.020 0.00 0.00 +0.039 C ATOM 23 C LIG 1 6.866 -0.014 -2.575 0.00 0.00 +0.133 C ATOM 24 O LIG 1 7.071 -1.248 -3.296 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 6.078 -2.229 -2.933 0.00 0.00 +0.179 C ATOM 26 C LIG 1 6.097 -2.519 -1.423 0.00 0.00 +0.136 C ATOM 27 N LIG 1 5.943 -1.273 -0.655 0.00 0.00 -0.295 N ATOM 28 C LIG 1 6.937 -0.259 -1.050 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.677 -0.580 1.154 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.521 -0.099 1.440 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.802 -1.924 1.339 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -3.739 -2.365 2.001 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.883 -2.881 0.670 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -1.069 -3.833 1.420 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -0.271 -4.688 0.750 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -0.242 -4.694 -0.732 0.00 0.00 +0.249 A ATOM 37 O LIG 1 0.478 -5.462 -1.351 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -1.063 -3.782 -1.347 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -1.054 -3.800 -2.361 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.875 -2.905 -0.673 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -1.105 -3.795 2.920 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -0.093 -4.522 3.464 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.252 -4.297 3.430 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.958 -2.532 3.395 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6