REMARK Name = BDB047050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.310 -1.784 -0.900 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -1.201 -1.697 0.213 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.673 -0.383 0.292 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.500 0.022 1.363 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.894 -0.924 2.314 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -2.444 -2.232 2.231 0.00 0.00 +0.131 A ATOM 7 N LIG 1 -1.127 0.329 -0.783 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -1.320 1.706 -1.070 0.00 0.00 +0.263 C ATOM 9 O LIG 1 -0.398 2.308 -1.622 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 -1.620 -2.637 1.182 0.00 0.00 +0.056 A ATOM 11 C LIG 1 -0.327 -0.542 -1.524 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.344 -0.119 -2.792 0.00 0.00 +0.064 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -2.552 2.471 -0.769 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -2.444 3.778 -0.290 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -3.600 4.511 -0.017 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.866 3.958 -0.237 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -4.969 2.660 -0.742 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -3.814 1.918 -1.016 0.00 0.00 +0.017 A BRANCH 16 19 ATOM 19 O LIG 1 -5.908 4.785 0.076 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 -7.221 4.281 -0.139 0.00 0.00 +0.277 C ENDBRANCH 16 19 ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 C LIG 1 0.476 -3.000 -1.305 0.00 0.00 +0.072 C BRANCH 21 24 ATOM 22 C LIG 1 4.035 -1.949 -0.411 0.00 0.00 +0.122 A ATOM 23 C LIG 1 2.841 -2.116 -1.112 0.00 0.00 +0.049 A ATOM 24 C LIG 1 1.798 -2.889 -0.577 0.00 0.00 -0.040 A ATOM 25 C LIG 1 2.002 -3.536 0.650 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.218 -3.410 1.325 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.235 -2.619 0.793 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 5.069 -1.175 -0.863 0.00 0.00 -0.478 OA BRANCH 28 29 ATOM 29 C LIG 1 4.679 0.144 -1.262 0.00 0.00 +0.281 C BRANCH 29 31 ATOM 30 C LIG 1 5.949 1.192 0.673 0.00 0.00 +0.008 C ATOM 31 C LIG 1 5.801 1.105 -0.840 0.00 0.00 +0.053 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 4.486 0.270 -2.781 0.00 0.00 +0.346 C ATOM 33 O LIG 1 4.867 -0.542 -3.611 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 3.816 1.393 -3.148 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 3.500 1.948 -2.409 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 6 36 ATOM 36 O LIG 1 -2.882 -3.135 3.159 0.00 0.00 -0.406 OA BRANCH 36 37 ATOM 37 C LIG 1 -1.871 -3.413 4.124 0.00 0.00 +0.575 C ATOM 38 F LIG 1 -2.384 -4.248 5.054 0.00 0.00 -0.133 F ATOM 39 F LIG 1 -1.470 -2.285 4.749 0.00 0.00 -0.133 F ATOM 40 F LIG 1 -0.804 -4.021 3.560 0.00 0.00 -0.133 F ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 11