REMARK Name = BDB005907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.300 -3.041 -1.160 0.00 0.00 +0.112 A ATOM 2 N LIG 1 -2.886 -2.088 -0.390 0.00 0.00 -0.241 NA ATOM 3 C LIG 1 -2.127 -1.102 0.159 0.00 0.00 +0.099 A ATOM 4 C LIG 1 -0.754 -1.093 -0.115 0.00 0.00 +0.097 A ATOM 5 C LIG 1 -0.176 -2.089 -0.904 0.00 0.00 +0.095 A ATOM 6 N LIG 1 1.174 -1.910 -1.023 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 1.456 -0.820 -0.355 0.00 0.00 +0.200 A ATOM 8 N LIG 1 0.317 -0.272 0.206 0.00 0.00 -0.306 N ATOM 9 C LIG 1 -0.954 -3.105 -1.453 0.00 0.00 +0.061 A ENDROOT BRANCH 7 10 ATOM 10 N LIG 1 2.689 -0.281 -0.151 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.794 -1.263 -0.078 0.00 0.00 +0.105 C ATOM 12 C LIG 1 5.134 -0.514 -0.079 0.00 0.00 +0.139 C ATOM 13 C LIG 1 6.117 -1.599 0.323 0.00 0.00 +0.033 C ATOM 14 C LIG 1 5.348 -2.433 1.355 0.00 0.00 +0.004 C ATOM 15 O LIG 1 5.423 0.084 -1.339 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 4.218 0.521 -2.002 0.00 0.00 +0.179 C ATOM 17 C LIG 1 3.871 -2.029 1.236 0.00 0.00 +0.025 C ATOM 18 C LIG 1 3.049 0.863 -1.045 0.00 0.00 +0.136 C ENDBRANCH 7 10 BRANCH 1 23 ATOM 19 O LIG 1 -6.304 -5.298 -1.954 0.00 0.00 -0.221 OA ATOM 20 C LIG 1 -5.116 -5.026 -1.997 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -4.158 -5.736 -2.681 0.00 0.00 -0.295 OA ATOM 22 N LIG 1 -2.913 -5.061 -2.453 0.00 0.00 -0.053 NA ATOM 23 C LIG 1 -3.218 -4.061 -1.694 0.00 0.00 +0.201 A ATOM 24 N LIG 1 -4.521 -3.991 -1.390 0.00 0.00 -0.270 N ATOM 25 H LIG 1 -4.971 -3.299 -0.815 0.00 0.00 +0.174 HD ENDBRANCH 1 23 BRANCH 3 26 ATOM 26 C LIG 1 -2.844 -0.140 0.974 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -3.655 0.845 0.395 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -4.329 1.752 1.206 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -5.296 2.989 0.513 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -4.185 1.644 2.580 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -3.427 0.698 3.184 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -2.794 -0.179 2.367 0.00 0.00 +0.120 A ENDBRANCH 3 26 BRANCH 8 33 ATOM 33 C LIG 1 0.309 0.901 1.071 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -0.382 2.116 0.490 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -0.837 3.105 1.378 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -1.474 4.256 0.908 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.669 4.451 -0.464 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -1.188 3.482 -1.356 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.548 2.332 -0.885 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -2.349 5.696 -0.981 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -1.455 6.656 -1.344 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.174 6.278 -0.067 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.116 5.463 -2.082 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6