REMARK Name = BDB041069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.871 1.906 -0.767 0.00 0.00 +0.178 A ATOM 2 C LIG 1 -1.675 0.745 -0.005 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -2.716 0.005 0.433 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 -3.958 0.404 0.102 0.00 0.00 +0.169 A ATOM 5 N LIG 1 -4.242 1.480 -0.650 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -3.186 2.212 -1.054 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -5.064 -0.429 0.538 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -5.198 -1.760 0.138 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -6.235 -2.530 0.565 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 -7.133 -1.961 1.376 0.00 0.00 +0.225 A ATOM 11 N LIG 1 -7.104 -0.703 1.815 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 -6.062 0.038 1.383 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 -4.197 -2.429 -0.790 0.00 0.00 +0.039 C ATOM 14 C LIG 1 -4.117 -2.017 -2.244 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -4.676 -3.360 -1.883 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 -5.954 1.340 1.845 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 -7.056 1.762 2.641 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 -1.015 3.848 -1.847 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -0.778 2.633 -1.150 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 -0.359 0.327 0.332 0.00 0.00 -0.311 N ATOM 21 C LIG 1 -0.336 -0.550 1.506 0.00 0.00 +0.131 C BRANCH 20 22 ATOM 22 C LIG 1 0.325 -0.226 -0.851 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 1.829 -0.211 -0.668 0.00 0.00 -0.030 A ATOM 24 C LIG 1 2.494 0.985 -0.361 0.00 0.00 +0.006 A ATOM 25 C LIG 1 3.884 1.012 -0.217 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.636 -0.159 -0.370 0.00 0.00 +0.017 A ATOM 27 C LIG 1 3.974 -1.347 -0.705 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.584 -1.376 -0.849 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 6.093 -0.166 -0.226 0.00 0.00 +0.141 A ATOM 30 N LIG 1 6.799 0.345 0.843 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.255 0.920 2.051 0.00 0.00 +0.150 C ATOM 32 C LIG 1 8.134 0.154 0.607 0.00 0.00 +0.119 A ATOM 33 C LIG 1 8.213 -0.511 -0.603 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.930 -0.714 -1.090 0.00 0.00 -0.224 NA BRANCH 33 35 ATOM 35 C LIG 1 9.435 -0.979 -1.338 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.380 -2.300 -1.654 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.631 -0.299 -2.499 0.00 0.00 -0.164 F ATOM 38 F LIG 1 10.566 -0.809 -0.598 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 9