REMARK Name = BDB008705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.778 -0.658 -0.033 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.462 -0.433 0.355 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.283 -1.543 0.005 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.651 -2.430 -0.495 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.372 -3.677 -0.900 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.923 -3.984 -0.752 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.906 -3.181 -0.284 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.620 -1.918 0.088 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.897 -1.883 -0.522 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.248 0.788 0.121 0.00 0.00 +0.069 A ATOM 11 C LIG 1 4.215 -0.155 0.050 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.899 0.289 0.075 0.00 0.00 +0.108 A ATOM 13 N LIG 1 2.574 1.601 0.154 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 3.587 2.491 0.215 0.00 0.00 +0.113 A ATOM 15 C LIG 1 4.926 2.143 0.204 0.00 0.00 +0.047 A BRANCH 10 19 ATOM 16 C LIG 1 8.917 -2.348 -0.012 0.00 0.00 +0.067 C ATOM 17 C LIG 1 8.232 -1.034 0.049 0.00 0.00 +0.060 A ATOM 18 N LIG 1 6.898 -0.974 0.048 0.00 0.00 -0.172 NA ATOM 19 N LIG 1 6.599 0.348 0.105 0.00 0.00 -0.240 N ATOM 20 C LIG 1 7.745 1.113 0.150 0.00 0.00 +0.115 A ATOM 21 C LIG 1 8.811 0.247 0.113 0.00 0.00 +0.044 A ENDBRANCH 10 19 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 C LIG 1 -1.359 -5.368 -1.159 0.00 0.00 +0.375 C ATOM 23 O LIG 1 -2.493 -5.818 -1.119 0.00 0.00 -0.242 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.345 -6.144 -1.608 0.00 0.00 -0.475 OA ATOM 25 H LIG 1 -0.774 -6.994 -1.830 0.00 0.00 +0.296 HD ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 8 26 ATOM 26 N LIG 1 -2.626 -1.065 0.526 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.483 -0.112 0.209 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.019 -1.512 0.382 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -4.481 -1.337 -1.066 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -4.883 -0.719 1.384 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -5.199 0.780 1.139 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.621 0.379 0.713 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -6.412 -0.973 1.416 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.021 0.676 1.171 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.782 1.739 0.406 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -1.738 2.503 1.096 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -2.459 3.509 0.446 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -2.241 3.777 -0.911 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.269 3.036 -1.596 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.546 2.033 -0.944 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -3.004 4.877 -1.608 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -2.400 6.089 -1.477 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.269 5.034 -1.125 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.142 4.669 -2.947 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10