REMARK Name = BDB037477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.525 1.537 -1.907 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.321 0.761 -1.046 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.295 -0.621 -0.982 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.519 -0.973 -0.349 0.00 0.00 +0.092 A ATOM 5 N LIG 1 -3.207 0.125 0.014 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 -0.253 -1.411 -1.707 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.946 -0.503 -2.076 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.344 1.157 -0.189 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.450 0.837 -2.658 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.968 1.306 -3.674 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.122 -2.634 -0.886 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.376 -2.589 0.498 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.752 -3.739 1.196 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.888 -4.941 0.515 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.249 -6.043 1.185 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.657 -5.014 -0.851 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.280 -3.866 -1.550 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.520 2.366 0.536 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -1.432 3.206 0.804 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.618 4.379 1.540 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.883 4.708 2.025 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.963 3.859 1.788 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.783 2.685 1.055 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.843 -0.163 -0.963 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.492 0.465 -0.254 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.020 -0.847 -0.757 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.423 -1.742 -1.490 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.782 -0.477 0.464 0.00 0.00 +0.037 A ATOM 29 C LIG 1 3.794 0.835 0.957 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.509 1.150 2.126 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.229 0.135 2.776 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.232 -1.168 2.275 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.512 -1.473 1.120 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 4.533 2.566 2.646 0.00 0.00 +0.417 C ATOM 35 F LIG 1 5.525 3.309 2.086 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.373 3.236 2.390 0.00 0.00 -0.166 F ATOM 37 F LIG 1 4.714 2.642 3.992 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.110 3.925 -2.320 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.951 2.837 -2.446 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -3.166 -2.329 -0.174 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -4.441 -2.284 -0.964 0.00 0.00 -0.272 N ATOM 42 H LIG 1 -4.896 -1.367 -0.858 0.00 0.00 +0.159 HD BRANCH 41 43 ATOM 43 C LIG 1 -5.162 -3.365 -1.263 0.00 0.00 +0.167 C ATOM 44 N LIG 1 -5.787 -4.309 -1.498 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 BRANCH 40 45 ATOM 45 C LIG 1 -3.451 -2.639 1.302 0.00 0.00 +0.242 C ATOM 46 F LIG 1 -2.283 -2.742 1.995 0.00 0.00 -0.247 F ENDBRANCH 40 45 ENDBRANCH 4 40 TORSDOF 10