REMARK Name = BDB009114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.046 -2.275 -1.184 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.575 -3.098 -2.188 0.00 0.00 +0.131 A ATOM 3 F LIG 1 0.103 -3.298 -3.330 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.799 -3.745 -2.038 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.537 -3.575 -0.868 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.059 -2.744 0.154 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.809 -2.118 -0.010 0.00 0.00 +0.015 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 3.725 -0.258 -1.597 0.00 0.00 +0.037 A ATOM 9 C LIG 1 3.458 -1.008 -0.451 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.229 -1.663 -0.321 0.00 0.00 +0.009 A ATOM 11 C LIG 1 1.254 -1.594 -1.334 0.00 0.00 -0.015 A ATOM 12 C LIG 1 1.560 -0.855 -2.491 0.00 0.00 +0.009 A ATOM 13 C LIG 1 2.787 -0.198 -2.628 0.00 0.00 +0.013 A BRANCH 8 15 ATOM 14 O LIG 1 5.673 0.212 -2.787 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 5.020 0.438 -1.771 0.00 0.00 +0.247 C ATOM 16 N LIG 1 5.428 1.324 -0.792 0.00 0.00 -0.298 N ATOM 17 C LIG 1 6.686 2.037 -0.927 0.00 0.00 +0.108 C ATOM 18 C LIG 1 6.801 2.842 0.359 0.00 0.00 +0.020 C ATOM 19 C LIG 1 5.347 3.155 0.688 0.00 0.00 +0.020 C ATOM 20 C LIG 1 4.624 1.874 0.292 0.00 0.00 +0.108 C ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 21 ATOM 21 C LIG 1 -2.857 -2.581 1.429 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -2.940 -1.141 1.929 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -3.951 -0.209 1.336 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -4.873 -0.665 0.241 0.00 0.00 +0.037 C ATOM 25 C LIG 1 -5.617 0.483 -0.448 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -6.125 1.500 0.567 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -4.970 2.083 1.383 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -3.987 1.039 1.835 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -3.033 1.444 2.897 0.00 0.00 +0.268 A ATOM 30 O LIG 1 -3.024 2.580 3.361 0.00 0.00 -0.266 OA ATOM 31 N LIG 1 -2.167 0.476 3.326 0.00 0.00 -0.243 N ATOM 32 H LIG 1 -1.512 0.732 4.057 0.00 0.00 +0.192 HD ATOM 33 N LIG 1 -2.106 -0.802 2.868 0.00 0.00 -0.175 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 4