REMARK Name = BDB009926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.016 -0.829 -0.599 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.925 -0.475 0.182 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.050 -1.440 0.020 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.530 -2.350 -0.847 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.053 -3.485 -1.262 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.270 -3.647 -0.712 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.911 -2.823 0.140 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.329 -1.672 0.525 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.780 -1.968 -1.222 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.718 -0.132 -0.429 0.00 0.00 -0.047 A ATOM 11 C LIG 1 4.478 -0.784 -0.375 0.00 0.00 +0.015 A ATOM 12 C LIG 1 3.288 -0.106 -0.678 0.00 0.00 +0.018 A ATOM 13 C LIG 1 3.356 1.234 -1.076 0.00 0.00 +0.011 A ATOM 14 C LIG 1 4.586 1.892 -1.138 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.761 1.213 -0.814 0.00 0.00 +0.003 A BRANCH 10 17 ATOM 16 C LIG 1 7.569 -1.551 -1.351 0.00 0.00 +0.009 C ATOM 17 C LIG 1 6.988 -0.880 -0.115 0.00 0.00 +0.032 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -1.979 -4.907 -1.129 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -3.090 -5.258 -0.771 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -1.209 -5.637 -1.986 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -0.352 -5.176 -2.147 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -1.975 -0.800 1.379 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.755 0.171 1.195 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.360 -0.973 1.835 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -3.656 -2.357 2.413 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.442 -0.552 0.836 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.392 0.898 0.273 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.106 0.351 -0.982 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.473 -1.018 -0.650 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 0.888 0.625 1.138 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 0.048 1.808 0.703 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.343 2.735 1.684 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.119 3.849 1.354 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.512 4.075 0.029 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -1.120 3.158 -0.955 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.346 2.042 -0.624 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -2.376 5.262 -0.326 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -2.176 6.331 0.494 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.703 4.973 -0.250 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.162 5.719 -1.591 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 10