REMARK Name = BDB010999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.258 0.611 -0.742 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.468 0.928 0.391 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.113 0.586 0.263 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -0.611 -0.028 -0.933 0.00 0.00 +0.032 A ATOM 5 C LIG 1 0.728 -0.229 -0.733 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.000 0.245 0.534 0.00 0.00 -0.239 N ATOM 7 C LIG 1 -1.332 -0.363 -2.082 0.00 0.00 +0.066 A ATOM 8 N LIG 1 -0.112 0.746 1.139 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 -2.698 -0.004 -1.919 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 2.254 0.256 1.214 0.00 0.00 +0.066 A ATOM 11 C LIG 1 3.417 -0.254 0.614 0.00 0.00 +0.032 A ATOM 12 C LIG 1 4.673 -0.249 1.270 0.00 0.00 -0.031 A ATOM 13 C LIG 1 4.697 0.298 2.569 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.548 0.806 3.179 0.00 0.00 +0.002 A ATOM 15 C LIG 1 2.331 0.786 2.506 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 5.980 -0.832 0.539 0.00 0.00 +0.066 C ATOM 17 C LIG 1 5.922 -2.355 0.175 0.00 0.00 +0.095 C ATOM 18 C LIG 1 7.407 -2.473 0.558 0.00 0.00 +0.251 C ATOM 19 F LIG 1 7.737 -3.573 1.271 0.00 0.00 -0.206 F ATOM 20 F LIG 1 8.296 -2.390 -0.456 0.00 0.00 -0.206 F ATOM 21 C LIG 1 7.240 -1.186 1.389 0.00 0.00 +0.095 C BRANCH 16 22 ATOM 22 C LIG 1 6.330 0.085 -0.709 0.00 0.00 +0.144 A ATOM 23 N LIG 1 6.666 1.412 -0.712 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.789 2.303 0.408 0.00 0.00 +0.151 C ATOM 25 C LIG 1 6.835 1.753 -2.019 0.00 0.00 +0.224 A ATOM 26 N LIG 1 6.609 0.707 -2.778 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 6.284 -0.343 -1.954 0.00 0.00 -0.134 NA ENDBRANCH 16 22 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 28 ATOM 28 C LIG 1 -0.804 -1.006 -3.325 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.758 -1.221 -4.274 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.238 -2.222 -3.087 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.158 -0.258 -3.932 0.00 0.00 -0.166 F ENDBRANCH 7 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.744 0.938 -0.719 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 -9.222 0.959 -0.442 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -7.777 0.666 -0.042 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.980 0.122 -1.242 0.00 0.00 +0.088 C ATOM 36 N LIG 1 -5.591 -0.246 -0.926 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -5.552 -1.198 0.195 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -6.293 -0.723 1.447 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -7.730 -0.327 1.125 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 6