REMARK Name = BDB006494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.138 3.506 -0.881 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.333 2.331 -0.097 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.488 1.327 0.505 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.355 0.398 1.123 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.154 -0.732 1.789 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.544 -0.878 1.883 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.404 0.065 1.325 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.655 0.845 0.935 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.887 1.144 0.588 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.649 2.042 0.241 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.885 2.818 -0.069 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.867 -0.064 1.592 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.562 1.130 1.668 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.997 1.964 1.780 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.367 -1.162 1.807 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.935 1.228 2.142 0.00 0.00 +0.103 C ATOM 17 C LIG 1 6.010 0.901 3.641 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.930 0.511 1.243 0.00 0.00 +0.008 A ATOM 19 C LIG 1 7.053 0.899 -0.097 0.00 0.00 +0.128 A ATOM 20 F LIG 1 6.293 1.895 -0.580 0.00 0.00 -0.205 F ATOM 21 C LIG 1 7.953 0.281 -0.963 0.00 0.00 +0.039 A ATOM 22 C LIG 1 8.777 -0.740 -0.493 0.00 0.00 +0.015 A ATOM 23 C LIG 1 8.693 -1.154 0.842 0.00 0.00 +0.055 A ATOM 24 C LIG 1 7.769 -0.523 1.698 0.00 0.00 +0.020 A BRANCH 23 25 ATOM 25 C LIG 1 9.621 -2.218 1.385 0.00 0.00 +0.417 C ATOM 26 F LIG 1 9.936 -3.176 0.471 0.00 0.00 -0.166 F ATOM 27 F LIG 1 9.110 -2.877 2.462 0.00 0.00 -0.166 F ATOM 28 F LIG 1 10.808 -1.696 1.806 0.00 0.00 -0.166 F ENDBRANCH 23 25 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.842 0.198 1.510 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 -3.857 -0.222 0.472 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -5.184 0.226 0.570 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.122 -0.115 -0.408 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -5.768 -0.933 -1.488 0.00 0.00 -0.017 A ATOM 34 C LIG 1 -4.452 -1.414 -1.562 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.506 -1.066 -0.591 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -6.729 -1.224 -2.563 0.00 0.00 -0.004 A ATOM 37 C LIG 1 -7.645 -2.290 -2.533 0.00 0.00 +0.067 A ATOM 38 C LIG 1 -8.468 -2.558 -3.640 0.00 0.00 +0.015 A ATOM 39 C LIG 1 -8.409 -1.748 -4.774 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.532 -0.669 -4.808 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.702 -0.407 -3.716 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 -7.817 -3.184 -1.370 0.00 0.00 +0.337 C ATOM 43 O LIG 1 -7.870 -4.399 -1.401 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 -8.090 -2.489 -0.254 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 -8.255 -3.177 0.423 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9