REMARK Name = BDB037315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.755 -0.770 -0.305 0.00 0.00 +0.089 A ATOM 2 C LIG 1 -1.391 -0.833 0.094 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.277 0.159 0.085 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.864 -0.347 0.997 0.00 0.00 +0.172 C ATOM 5 C LIG 1 1.165 -1.849 0.772 0.00 0.00 +0.242 C ATOM 6 N LIG 1 0.064 -2.724 0.722 0.00 0.00 -0.254 N ATOM 7 O LIG 1 2.336 -2.244 0.720 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.193 -2.141 0.498 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.459 -2.709 0.566 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -3.338 -1.972 -0.160 0.00 0.00 -0.167 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.123 0.414 -1.366 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.382 1.744 -1.760 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.777 2.046 -3.064 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.928 1.021 -3.986 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.308 1.308 -5.237 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.698 -0.299 -3.626 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.304 -0.603 -2.320 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -2.944 -3.789 1.355 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.161 -4.398 1.015 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.666 -5.440 1.794 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.973 -5.866 2.926 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.780 -5.243 3.289 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.268 -4.200 2.512 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.117 0.404 0.877 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.953 -0.161 0.757 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.213 1.721 1.254 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.256 2.372 1.656 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.562 2.341 1.160 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.512 1.910 0.223 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.775 2.526 0.155 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.061 3.590 1.024 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.111 4.029 1.947 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.864 3.409 2.012 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.788 2.079 -0.872 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.075 2.290 -0.480 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.699 0.751 -1.161 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.643 2.732 -2.056 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 38 ATOM 38 C LIG 1 -3.576 0.355 -0.901 0.00 0.00 +0.121 C ATOM 39 C LIG 1 -3.696 0.217 -2.418 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 40 C LIG 1 -3.263 2.261 0.635 0.00 0.00 +0.237 C ATOM 41 N LIG 1 -3.022 1.656 -0.569 0.00 0.00 -0.304 N ATOM 42 H LIG 1 -2.276 2.006 -1.152 0.00 0.00 +0.150 HD ATOM 43 O LIG 1 -3.989 1.810 1.511 0.00 0.00 -0.271 OA BRANCH 40 46 ATOM 44 C LIG 1 -1.375 5.635 0.198 0.00 0.00 +0.035 C ATOM 45 C LIG 1 -2.142 4.383 -0.082 0.00 0.00 -0.025 C ATOM 46 C LIG 1 -2.492 3.508 0.874 0.00 0.00 +0.063 C ENDBRANCH 40 46 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 6 47 ATOM 47 C LIG 1 0.355 -4.144 0.493 0.00 0.00 +0.112 C ATOM 48 C LIG 1 0.637 -4.446 -0.973 0.00 0.00 +0.025 C ENDBRANCH 6 47 TORSDOF 9