REMARK Name = BDB037481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.407 -0.233 0.429 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -0.892 0.243 -0.806 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.278 -0.348 -2.033 0.00 0.00 +0.084 C ATOM 4 C LIG 1 1.150 0.214 -2.128 0.00 0.00 +0.172 C ATOM 5 C LIG 1 1.081 1.775 -2.153 0.00 0.00 +0.242 C ATOM 6 N LIG 1 0.107 2.426 -1.339 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.944 2.418 -2.760 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.791 1.609 -0.628 0.00 0.00 +0.136 A ATOM 9 N LIG 1 -1.677 1.896 0.403 0.00 0.00 -0.217 N ATOM 10 N LIG 1 -1.835 0.794 1.188 0.00 0.00 -0.160 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.562 -1.833 -2.104 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.429 -2.815 -1.958 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.109 -4.175 -2.034 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.202 -4.563 -2.273 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.506 -5.866 -2.337 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.199 -3.618 -2.453 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.879 -2.261 -2.378 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -2.463 3.046 0.666 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.860 3.890 -0.376 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.660 5.002 -0.107 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.080 5.263 1.196 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.716 4.404 2.233 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.919 3.289 1.969 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.016 -0.174 -1.004 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.690 0.039 -0.069 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.345 -0.477 -1.180 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.892 -0.538 -2.273 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.121 -0.742 0.061 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.487 -0.431 0.071 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.264 -0.664 1.218 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.652 -1.237 2.345 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.295 -1.563 2.330 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.528 -1.320 1.190 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.738 -0.343 1.220 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.045 0.760 0.484 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.229 -0.102 2.469 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.491 -1.357 0.713 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 39 ATOM 38 N LIG 1 -2.584 -2.189 1.363 0.00 0.00 -0.283 N ATOM 39 C LIG 1 -1.377 -1.605 0.961 0.00 0.00 +0.268 C ATOM 40 O LIG 1 -0.302 -2.200 1.045 0.00 0.00 -0.268 OA BRANCH 38 42 ATOM 41 C LIG 1 -2.355 -3.684 3.313 0.00 0.00 +0.024 C ATOM 42 C LIG 1 -2.563 -3.577 1.811 0.00 0.00 +0.106 C ENDBRANCH 38 42 BRANCH 38 43 ATOM 43 C LIG 1 -3.855 -1.461 1.461 0.00 0.00 +0.227 C BRANCH 43 44 ATOM 44 C LIG 1 -4.447 -1.157 0.146 0.00 0.00 +0.082 C ATOM 45 N LIG 1 -4.903 -0.919 -0.895 0.00 0.00 -0.195 NA ENDBRANCH 43 44 ENDBRANCH 38 43 ENDBRANCH 1 39 BRANCH 6 46 ATOM 46 C LIG 1 0.349 3.848 -1.079 0.00 0.00 +0.112 C ATOM 47 C LIG 1 0.011 4.746 -2.263 0.00 0.00 +0.025 C ENDBRANCH 6 46 TORSDOF 10