REMARK Name = BDB037375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.987 -2.119 -0.416 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.813 -1.065 0.016 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.351 0.183 0.387 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -2.433 0.806 1.050 0.00 0.00 +0.073 A ATOM 5 N LIG 1 -3.515 0.019 1.041 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.061 0.603 0.222 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.964 -0.636 0.307 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.196 -0.998 0.192 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.405 -1.894 -0.412 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.207 -2.720 -0.870 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.120 1.403 -1.076 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.146 0.848 -2.342 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.057 1.628 -3.497 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.305 2.965 -3.400 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.393 3.708 -4.510 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.583 3.538 -2.167 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.493 2.760 -1.011 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.255 -1.687 -0.453 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.125 -2.116 -1.777 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.188 -2.768 -2.408 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.388 -2.970 -1.727 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.536 -2.504 -0.421 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.478 -1.850 0.212 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.342 -0.418 -0.146 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.745 -1.178 -0.686 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.175 0.476 0.483 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.806 1.200 1.401 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.588 0.515 0.014 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.572 0.972 0.902 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.918 1.039 0.508 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.264 0.635 -0.790 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.285 0.196 -1.683 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.948 0.140 -1.285 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.973 1.505 1.482 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.371 0.513 2.325 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.107 1.952 0.871 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.552 2.527 2.275 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.238 -3.994 -2.069 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.418 -3.502 -0.636 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.466 2.127 1.752 0.00 0.00 +0.085 C BRANCH 40 41 ATOM 41 C LIG 1 -2.023 2.012 3.184 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -2.841 2.191 4.233 0.00 0.00 +0.087 C BRANCH 42 43 ATOM 43 C LIG 1 -2.333 2.060 5.604 0.00 0.00 +0.329 C ATOM 44 O LIG 1 -1.201 1.787 5.952 0.00 0.00 -0.246 OA BRANCH 43 45 ATOM 45 O LIG 1 -3.317 2.294 6.486 0.00 0.00 -0.478 OA ATOM 46 H LIG 1 -2.880 2.181 7.355 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10