REMARK Name = BDB064100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.717 -0.567 1.662 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.066 -0.771 2.995 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.423 -1.677 3.745 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.084 -0.024 3.578 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.776 0.921 2.817 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.468 1.112 1.460 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.424 0.365 0.891 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 4.913 0.578 0.445 0.00 0.00 +0.200 A ATOM 9 N LIG 1 3.921 -0.304 0.761 0.00 0.00 -0.306 N ATOM 10 C LIG 1 3.494 -1.504 0.069 0.00 0.00 +0.144 C ATOM 11 C LIG 1 2.586 -2.341 0.970 0.00 0.00 +0.130 C ATOM 12 N LIG 1 1.590 -1.487 1.619 0.00 0.00 -0.288 N ATOM 13 C LIG 1 2.147 -0.489 2.542 0.00 0.00 +0.184 C ATOM 14 C LIG 1 0.340 -1.370 1.017 0.00 0.00 +0.250 C ATOM 15 O LIG 1 0.069 -1.911 -0.053 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 3.307 0.187 1.889 0.00 0.00 +0.151 A ATOM 17 N LIG 1 3.922 1.288 2.262 0.00 0.00 -0.132 NA ATOM 18 N LIG 1 4.930 1.533 1.355 0.00 0.00 -0.126 NA BRANCH 8 21 ATOM 19 C LIG 1 6.730 -0.215 -2.537 0.00 0.00 +0.204 A ATOM 20 O LIG 1 5.756 -0.479 -1.626 0.00 0.00 -0.442 OA ATOM 21 C LIG 1 5.795 0.515 -0.678 0.00 0.00 +0.174 A ATOM 22 C LIG 1 6.806 1.403 -1.014 0.00 0.00 +0.054 A ATOM 23 C LIG 1 7.407 0.933 -2.209 0.00 0.00 +0.061 A BRANCH 19 25 ATOM 24 N LIG 1 7.016 -1.863 -4.502 0.00 0.00 -0.188 NA ATOM 25 C LIG 1 6.881 -1.123 -3.618 0.00 0.00 +0.138 C ENDBRANCH 19 25 ENDBRANCH 8 21 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -3.219 2.151 0.655 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -3.586 1.701 -0.753 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -4.704 0.746 -0.964 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -4.979 0.370 -2.277 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -6.015 -0.528 -2.561 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -6.781 -1.053 -1.521 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.512 -0.680 -0.205 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.168 0.930 -3.370 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -4.380 0.634 -4.541 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -3.173 1.800 -2.999 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -2.601 2.193 -3.740 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.477 0.217 0.077 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -2.876 2.186 -1.730 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5