REMARK Name = BDB034448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.647 -1.738 1.331 0.00 0.00 +0.083 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.790 -0.849 1.120 0.00 0.00 -0.312 NA ATOM 3 H LIG 1 2.570 -1.163 1.698 0.00 0.00 +0.122 HD BRANCH 2 4 ATOM 4 C LIG 1 2.242 -0.817 -0.271 0.00 0.00 +0.116 C BRANCH 4 8 ATOM 5 C LIG 1 5.893 1.490 -0.619 0.00 0.00 +0.130 A ATOM 6 C LIG 1 5.918 0.105 -0.786 0.00 0.00 +0.046 A ATOM 7 C LIG 1 4.738 -0.641 -0.675 0.00 0.00 +0.008 A ATOM 8 C LIG 1 3.516 -0.015 -0.398 0.00 0.00 -0.033 A ATOM 9 C LIG 1 3.498 1.375 -0.225 0.00 0.00 +0.008 A ATOM 10 C LIG 1 4.676 2.117 -0.337 0.00 0.00 +0.046 A BRANCH 5 11 ATOM 11 O LIG 1 6.960 2.338 -0.699 0.00 0.00 -0.406 OA BRANCH 11 13 ATOM 12 F LIG 1 8.236 1.158 -2.181 0.00 0.00 -0.133 F ATOM 13 C LIG 1 8.229 1.777 -0.980 0.00 0.00 +0.575 C ATOM 14 F LIG 1 9.144 2.771 -1.018 0.00 0.00 -0.133 F ATOM 15 F LIG 1 8.602 0.902 -0.021 0.00 0.00 -0.133 F ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 4 8 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -0.649 -1.208 0.712 0.00 0.00 +0.034 C BRANCH 16 17 ATOM 17 C LIG 1 -1.831 -2.102 1.089 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 N LIG 1 -3.066 -1.659 0.447 0.00 0.00 -0.343 N ATOM 19 H LIG 1 -3.001 -1.692 -0.567 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.795 -0.539 0.885 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -4.909 -0.068 0.127 0.00 0.00 +0.021 A ATOM 22 C LIG 1 -5.626 1.050 0.623 0.00 0.00 +0.074 A ATOM 23 C LIG 1 -6.699 1.551 -0.098 0.00 0.00 +0.048 A ATOM 24 C LIG 1 -7.101 0.970 -1.296 0.00 0.00 +0.043 A ATOM 25 C LIG 1 -6.432 -0.137 -1.795 0.00 0.00 +0.021 A ATOM 26 CL LIG 1 -8.440 1.619 -2.159 0.00 0.00 -0.083 Cl ATOM 27 N LIG 1 -5.326 1.655 1.779 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -4.310 1.153 2.504 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -5.346 -0.653 -1.088 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -3.542 0.073 2.114 0.00 0.00 +0.043 A ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9