REMARK Name = BDB009134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.114 1.608 0.483 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.714 2.578 1.300 0.00 0.00 +0.131 A ATOM 3 F LIG 1 -0.077 3.731 1.562 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.970 2.383 1.870 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.664 1.198 1.635 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.101 0.204 0.827 0.00 0.00 -0.046 A ATOM 7 C LIG 1 -0.834 0.420 0.257 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 3.477 1.016 -0.607 0.00 0.00 +0.037 A ATOM 9 C LIG 1 2.213 0.829 -0.027 0.00 0.00 +0.021 A ATOM 10 C LIG 1 1.214 1.813 -0.124 0.00 0.00 -0.014 A ATOM 11 C LIG 1 1.520 2.990 -0.829 0.00 0.00 +0.008 A ATOM 12 C LIG 1 2.771 3.177 -1.422 0.00 0.00 +0.001 A ATOM 13 C LIG 1 3.750 2.190 -1.317 0.00 0.00 +0.013 A BRANCH 8 16 ATOM 14 N LIG 1 5.810 0.326 -0.476 0.00 0.00 -0.310 N ATOM 15 H LIG 1 6.003 1.300 -0.285 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 4.486 -0.069 -0.466 0.00 0.00 +0.244 C ATOM 17 O LIG 1 4.126 -1.231 -0.317 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 6.861 -0.635 -0.181 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 8.245 -0.118 -0.614 0.00 0.00 +0.102 C BRANCH 19 21 ATOM 20 C LIG 1 9.344 -2.236 -1.107 0.00 0.00 +0.104 C ATOM 21 N LIG 1 9.408 -0.982 -0.359 0.00 0.00 -0.307 NA ATOM 22 C LIG 1 9.620 -1.235 1.064 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 6 23 ATOM 23 C LIG 1 -2.852 -1.076 0.547 0.00 0.00 +0.041 C BRANCH 23 24 ATOM 24 C LIG 1 -3.597 -1.066 -0.788 0.00 0.00 +0.062 C BRANCH 24 25 ATOM 25 C LIG 1 -4.840 -0.183 -0.743 0.00 0.00 +0.065 A ATOM 26 C LIG 1 -6.111 -0.718 -0.161 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -6.230 -2.157 0.260 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -7.672 -2.595 0.536 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -8.431 -1.532 1.320 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -8.462 -0.208 0.555 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -7.132 0.149 -0.051 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -6.987 1.541 -0.548 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -7.899 2.356 -0.462 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.782 1.848 -1.118 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -5.657 2.795 -1.461 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -4.705 1.024 -1.201 0.00 0.00 -0.176 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 8