REMARK Name = BDB037775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.852 0.846 0.399 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -0.622 0.159 0.234 0.00 0.00 +0.030 A ATOM 3 C LIG 1 0.739 0.658 -0.142 0.00 0.00 +0.057 C ATOM 4 C LIG 1 1.751 -0.330 0.492 0.00 0.00 +0.167 C ATOM 5 C LIG 1 1.406 -1.783 0.081 0.00 0.00 +0.242 C ATOM 6 N LIG 1 0.066 -2.200 0.259 0.00 0.00 -0.255 N ATOM 7 O LIG 1 2.292 -2.537 -0.342 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.885 -1.184 0.442 0.00 0.00 +0.130 A ATOM 9 N LIG 1 -2.203 -1.232 0.839 0.00 0.00 -0.246 N ATOM 10 N LIG 1 -2.821 -0.035 0.708 0.00 0.00 -0.164 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.682 4.179 0.008 0.00 0.00 +0.151 C ATOM 12 N LIG 1 -3.378 2.756 0.035 0.00 0.00 -0.282 N ATOM 13 C LIG 1 -2.088 2.306 0.299 0.00 0.00 +0.268 C ATOM 14 O LIG 1 -1.159 3.100 0.449 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -4.440 1.975 -0.579 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -5.234 2.995 -1.381 0.00 0.00 +0.022 C ATOM 17 C LIG 1 -5.115 4.252 -0.534 0.00 0.00 +0.037 C BRANCH 11 19 ATOM 18 C LIG 1 -3.535 5.276 2.440 0.00 0.00 +0.006 C ATOM 19 C LIG 1 -3.605 4.785 1.346 0.00 0.00 -0.083 C ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 9 20 ATOM 20 C LIG 1 -2.977 -2.247 1.548 0.00 0.00 +0.114 C ATOM 21 C LIG 1 -2.241 -2.912 2.717 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -3.104 -3.998 3.337 0.00 0.00 +0.162 C ATOM 23 O LIG 1 -3.552 -4.906 2.331 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.436 -4.282 1.403 0.00 0.00 +0.162 C ATOM 25 C LIG 1 -3.703 -3.214 0.609 0.00 0.00 +0.055 C ENDBRANCH 9 20 BRANCH 4 26 ATOM 26 N LIG 1 3.149 -0.067 0.155 0.00 0.00 -0.299 N ATOM 27 H LIG 1 3.559 -0.672 -0.546 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 3.847 0.976 0.710 0.00 0.00 +0.245 C ATOM 29 O LIG 1 3.347 1.770 1.497 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 5.266 1.130 0.285 0.00 0.00 +0.037 A ATOM 31 C LIG 1 6.050 0.039 -0.114 0.00 0.00 +0.025 A ATOM 32 C LIG 1 7.388 0.228 -0.507 0.00 0.00 +0.056 A ATOM 33 C LIG 1 7.929 1.522 -0.482 0.00 0.00 +0.012 A ATOM 34 C LIG 1 7.154 2.607 -0.071 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.828 2.411 0.316 0.00 0.00 +0.013 A BRANCH 32 36 ATOM 36 C LIG 1 8.222 -0.958 -0.926 0.00 0.00 +0.417 C ATOM 37 F LIG 1 9.453 -0.620 -1.402 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.628 -1.686 -1.912 0.00 0.00 -0.166 F ATOM 39 F LIG 1 8.443 -1.826 0.099 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 4 26 BRANCH 3 40 ATOM 40 C LIG 1 0.916 0.758 -1.653 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.899 1.735 -2.252 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.425 1.969 -2.409 0.00 0.00 +0.004 C ENDBRANCH 3 40 BRANCH 6 43 ATOM 43 C LIG 1 -0.227 -3.576 -0.132 0.00 0.00 +0.112 C ATOM 44 C LIG 1 -0.535 -3.692 -1.619 0.00 0.00 +0.025 C ENDBRANCH 6 43 TORSDOF 8