REMARK Name = BDB010854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.660 -0.323 0.132 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.018 0.855 -0.257 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.690 2.064 -0.137 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.958 3.099 -0.625 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 0.162 2.574 -1.086 0.00 0.00 +0.151 A ATOM 6 N LIG 1 -2.930 2.203 0.351 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.478 1.035 0.678 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.202 1.211 -0.803 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.925 -0.197 0.584 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.868 1.059 1.185 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.496 -0.106 1.420 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.128 -1.031 1.275 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.728 0.195 1.851 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.596 -0.608 2.153 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.851 1.562 1.896 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.598 2.094 1.446 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.089 -1.583 0.046 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.086 -1.586 0.148 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.428 -2.672 2.217 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.741 -2.709 0.717 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -1.193 -4.019 0.116 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -1.549 -4.286 -1.376 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -2.739 -5.132 -0.886 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -1.973 -5.326 0.435 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 1.226 3.308 -1.877 0.00 0.00 +0.262 C ATOM 26 F LIG 1 2.467 3.013 -1.381 0.00 0.00 -0.232 F BRANCH 25 27 ATOM 27 C LIG 1 0.997 4.804 -1.975 0.00 0.00 -0.006 A ATOM 28 C LIG 1 0.038 5.322 -2.862 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -0.189 6.697 -2.936 0.00 0.00 +0.000 A ATOM 30 C LIG 1 0.538 7.571 -2.126 0.00 0.00 +0.000 A ATOM 31 C LIG 1 1.492 7.070 -1.240 0.00 0.00 +0.000 A ATOM 32 C LIG 1 1.721 5.694 -1.165 0.00 0.00 +0.007 A ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 1.301 0.327 -1.157 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 2.462 0.291 -0.137 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.692 -0.363 -0.801 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.656 -0.936 0.230 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.002 -2.078 1.028 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.729 -2.276 2.360 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.493 -1.859 1.237 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.116 -0.380 1.207 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8