REMARK Name = BDB036035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.337 0.422 0.973 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.805 1.730 0.882 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.416 1.962 0.824 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.581 0.849 0.867 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.911 0.774 0.827 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.188 -0.654 0.907 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.002 -1.396 0.984 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.189 -2.596 1.056 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.107 -0.434 0.959 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.467 -0.678 1.011 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.513 -1.173 0.920 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.623 -0.313 0.786 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.968 -0.760 0.788 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -5.150 -2.144 0.981 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.074 -3.019 1.113 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.767 -2.536 1.074 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.226 0.243 0.620 0.00 0.00 +0.102 C ATOM 18 C LIG 1 -6.722 0.916 1.933 0.00 0.00 +0.181 C ATOM 19 O LIG 1 -6.020 2.148 1.587 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -5.997 1.722 0.200 0.00 0.00 +0.181 C BRANCH 17 21 ATOM 21 C LIG 1 -7.372 -0.415 -0.238 0.00 0.00 +0.148 A ATOM 22 N LIG 1 -7.305 -0.810 -1.547 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.182 -0.722 -2.439 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -8.523 -1.339 -1.842 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -9.295 -1.278 -0.782 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -8.568 -0.703 0.232 0.00 0.00 -0.134 NA ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 27 ATOM 27 C LIG 1 0.850 3.352 0.725 0.00 0.00 +0.418 C ATOM 28 F LIG 1 1.793 4.323 0.598 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.018 3.492 -0.345 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.108 3.683 1.816 0.00 0.00 -0.166 F ENDBRANCH 3 27 BRANCH 1 31 ATOM 31 C LIG 1 4.838 0.203 1.030 0.00 0.00 +0.119 C BRANCH 31 35 ATOM 32 C LIG 1 8.325 -0.898 -1.902 0.00 0.00 +0.009 C ATOM 33 C LIG 1 7.869 -0.231 -0.600 0.00 0.00 +0.000 C ATOM 34 C LIG 1 6.737 -1.016 0.104 0.00 0.00 +0.088 C ATOM 35 N LIG 1 5.356 -0.550 -0.121 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 5.220 0.156 -1.396 0.00 0.00 +0.085 C ATOM 37 C LIG 1 6.129 1.380 -1.538 0.00 0.00 +0.016 C ATOM 38 C LIG 1 7.474 1.230 -0.827 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 6