REMARK Name = BDB026162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.899 -1.520 0.122 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.569 -0.205 -0.297 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.756 0.239 -0.240 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.784 -0.583 0.262 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.427 -1.868 0.695 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.358 -2.691 1.202 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.116 -2.335 0.628 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.175 -0.108 0.313 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.534 1.163 0.712 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.800 1.633 0.747 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.789 0.806 0.376 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.548 -0.452 -0.025 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.264 -0.877 -0.043 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.101 1.280 0.368 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.324 2.437 1.248 0.00 0.00 +0.136 C ATOM 16 C LIG 1 8.769 2.939 1.100 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.721 1.890 1.337 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.524 0.829 0.389 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.116 0.224 0.501 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -3.934 -3.625 0.131 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -2.559 -3.257 -0.482 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.242 -1.923 0.061 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.993 -1.705 1.311 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.840 -2.960 1.510 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -5.250 -1.888 -1.056 0.00 0.00 +0.105 C ATOM 26 N LIG 1 -5.113 -3.301 -0.707 0.00 0.00 -0.301 NA BRANCH 26 27 ATOM 27 C LIG 1 -6.351 -3.835 -0.120 0.00 0.00 +0.088 C BRANCH 27 28 ATOM 28 C LIG 1 -7.417 -3.971 -1.168 0.00 0.00 +0.003 C ATOM 29 C LIG 1 -8.825 -4.328 -0.757 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -8.528 -2.957 -1.293 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 31 ATOM 31 N LIG 1 -1.652 0.542 -0.804 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.479 -0.039 -0.943 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.862 1.845 -1.126 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -2.901 2.189 -1.688 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -0.872 2.878 -0.747 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -0.741 3.391 0.608 0.00 0.00 +0.073 A ATOM 37 C LIG 1 0.179 4.343 0.855 0.00 0.00 +0.083 A ATOM 38 C LIG 1 1.051 4.877 -0.225 0.00 0.00 +0.252 A ATOM 39 O LIG 1 1.901 5.714 0.061 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 0.819 4.368 -1.499 0.00 0.00 -0.318 N ATOM 41 C LIG 1 1.620 4.851 -2.615 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -0.135 3.393 -1.744 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -1.662 2.882 1.675 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -1.542 3.586 2.832 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.405 1.589 1.996 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.967 2.954 1.320 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 9