REMARK Name = BDB037574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.293 2.364 -0.158 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.658 1.337 -0.256 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.357 -0.015 -0.197 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.562 -0.710 -0.507 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.562 0.173 -0.652 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.031 -0.514 0.067 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.992 0.529 -0.559 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.028 1.388 -0.400 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.650 1.979 -0.139 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.564 2.769 0.131 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.745 -2.169 -0.691 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.026 -2.716 -0.646 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.229 -4.138 -0.753 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.704 -4.415 -0.792 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.413 -3.089 -0.737 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.835 -4.779 -1.965 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.321 -2.035 -0.405 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.771 -2.902 -0.872 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.460 -1.589 0.998 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.590 -1.238 2.099 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.949 2.519 -0.391 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.199 3.045 -1.807 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.173 4.213 -1.764 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.387 3.836 -1.120 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.193 3.433 0.235 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.290 2.212 0.300 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 6 27 ATOM 27 C LIG 1 1.364 -0.851 1.557 0.00 0.00 -0.001 C ATOM 28 C LIG 1 1.141 0.230 2.619 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -0.277 0.028 3.135 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -0.609 -1.439 2.893 0.00 0.00 +0.000 C ATOM 31 C LIG 1 0.578 -2.032 2.143 0.00 0.00 +0.004 C ENDBRANCH 6 27 BRANCH 7 32 ATOM 32 N LIG 1 3.411 0.296 -0.284 0.00 0.00 -0.299 N ATOM 33 H LIG 1 3.918 1.103 0.069 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 4.107 -0.714 -0.905 0.00 0.00 +0.245 C ATOM 35 O LIG 1 3.579 -1.529 -1.652 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 5.576 -0.762 -0.658 0.00 0.00 +0.037 A ATOM 37 C LIG 1 6.387 -1.408 -1.601 0.00 0.00 +0.025 A ATOM 38 C LIG 1 7.778 -1.486 -1.420 0.00 0.00 +0.056 A ATOM 39 C LIG 1 8.342 -0.924 -0.265 0.00 0.00 +0.012 A ATOM 40 C LIG 1 7.537 -0.292 0.684 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.156 -0.212 0.491 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 8.640 -2.198 -2.434 0.00 0.00 +0.417 C ATOM 43 F LIG 1 8.214 -2.018 -3.715 0.00 0.00 -0.166 F ATOM 44 F LIG 1 8.673 -3.544 -2.233 0.00 0.00 -0.166 F ATOM 45 F LIG 1 9.939 -1.786 -2.415 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 -0.174 4.121 1.516 0.00 0.00 +0.025 C ATOM 47 C LIG 1 0.034 3.784 0.047 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8