REMARK Name = BDB020171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.404 -1.276 -0.206 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.015 -2.324 0.492 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.227 -2.119 1.169 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.811 -0.841 1.146 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.195 0.227 0.477 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.991 -0.007 -0.206 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.871 -3.220 1.897 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -2.788 -3.343 3.304 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.443 -4.412 3.941 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -4.154 -5.345 3.196 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -4.769 -6.357 3.820 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.233 -5.243 1.816 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.595 -4.184 1.169 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -2.019 -2.346 4.137 0.00 0.00 +0.372 C ATOM 15 F LIG 1 -1.863 -2.740 5.434 0.00 0.00 -0.204 F ATOM 16 F LIG 1 -2.639 -1.134 4.203 0.00 0.00 -0.204 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.149 -0.776 -2.002 0.00 0.00 -0.304 N ATOM 18 H LIG 1 0.448 -0.137 -2.344 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 0.902 -1.518 -0.870 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.682 -2.338 -0.399 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.495 -0.608 -2.507 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 2.555 4.242 -0.970 0.00 0.00 +0.047 C ATOM 23 C LIG 1 3.202 2.895 -1.065 0.00 0.00 -0.015 A ATOM 24 C LIG 1 4.450 2.674 -0.483 0.00 0.00 +0.126 A ATOM 25 F LIG 1 5.069 3.669 0.169 0.00 0.00 -0.205 F ATOM 26 C LIG 1 5.070 1.432 -0.556 0.00 0.00 +0.039 A ATOM 27 C LIG 1 4.437 0.378 -1.217 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.180 0.563 -1.814 0.00 0.00 -0.027 A ATOM 29 C LIG 1 2.576 1.834 -1.735 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 2.437 -0.377 -3.996 0.00 0.00 +0.014 C ATOM 31 C LIG 1 3.596 -0.767 -4.882 0.00 0.00 +0.006 C ATOM 32 C LIG 1 2.316 -1.552 -4.937 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -2.815 1.606 0.464 0.00 0.00 +0.144 C BRANCH 33 34 ATOM 34 N LIG 1 -1.843 2.593 0.876 0.00 0.00 -0.278 N ATOM 35 C LIG 1 -1.468 3.651 0.119 0.00 0.00 +0.278 C ATOM 36 N LIG 1 -1.667 3.876 -1.123 0.00 0.00 -0.253 NA ATOM 37 H LIG 1 -1.236 4.788 -1.315 0.00 0.00 +0.191 HD ATOM 38 O LIG 1 -0.783 4.560 0.861 0.00 0.00 -0.464 OA ATOM 39 C LIG 1 -0.585 3.985 2.168 0.00 0.00 +0.251 C ATOM 40 C LIG 1 -1.591 2.848 2.270 0.00 0.00 +0.151 C ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8