REMARK Name = BDB047052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.685 -1.244 -1.169 0.00 0.00 +0.263 C ATOM 2 N LIG 1 1.748 -0.211 -0.894 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.162 0.608 -1.866 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.401 1.577 -1.215 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.248 2.576 -1.985 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -0.142 2.576 -3.378 0.00 0.00 +0.131 A ATOM 7 C LIG 1 0.626 1.599 -4.003 0.00 0.00 +0.048 A ATOM 8 C LIG 1 0.442 1.297 0.187 0.00 0.00 -0.014 A ATOM 9 C LIG 1 1.290 0.612 -3.268 0.00 0.00 +0.030 A ATOM 10 C LIG 1 1.249 0.176 0.355 0.00 0.00 +0.028 A ATOM 11 C LIG 1 1.512 -0.576 1.620 0.00 0.00 +0.064 C ATOM 12 O LIG 1 2.628 -1.803 -2.264 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 5.827 -2.562 1.422 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.572 -1.196 1.264 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.548 -0.752 0.424 0.00 0.00 +0.017 A ATOM 16 C LIG 1 3.758 -1.686 -0.250 0.00 0.00 +0.040 A ATOM 17 C LIG 1 4.024 -3.053 -0.119 0.00 0.00 +0.017 A ATOM 18 C LIG 1 5.053 -3.490 0.723 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 7.189 -4.227 2.437 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.855 -2.854 2.275 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 O LIG 1 -0.731 3.465 -4.233 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.615 4.424 -3.681 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -2.141 5.160 -4.685 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -0.966 5.260 -2.843 0.00 0.00 -0.133 F ATOM 25 F LIG 1 -2.633 3.828 -3.020 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 6 21 BRANCH 8 26 ATOM 26 C LIG 1 -0.261 2.088 1.256 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 -1.547 1.369 1.603 0.00 0.00 -0.040 A ATOM 28 C LIG 1 -2.577 1.195 0.663 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -3.777 0.556 1.000 0.00 0.00 +0.122 A ATOM 30 C LIG 1 -3.956 0.086 2.298 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.950 0.265 3.251 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -1.760 0.907 2.908 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 O LIG 1 -4.669 0.460 -0.031 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.966 -0.101 0.222 0.00 0.00 +0.278 C ATOM 35 C LIG 1 -5.925 -1.614 0.058 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 -6.924 0.483 -0.819 0.00 0.00 +0.346 C ATOM 37 O LIG 1 -8.110 0.196 -0.899 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.333 1.367 -1.660 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -5.379 1.446 -1.434 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 10