REMARK Name = BDB020548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.245 1.179 1.450 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.464 0.594 1.000 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.668 0.939 1.641 0.00 0.00 +0.072 A ATOM 4 N LIG 1 3.858 0.443 1.266 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.927 -0.431 0.229 0.00 0.00 +0.086 A ATOM 6 C LIG 1 2.806 -0.868 -0.459 0.00 0.00 +0.081 A ATOM 7 C LIG 1 2.637 1.831 2.703 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.446 2.396 3.159 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.571 -0.328 -0.065 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.250 2.067 2.534 0.00 0.00 +0.011 A ENDROOT BRANCH 1 18 ATOM 11 C LIG 1 -3.334 5.157 0.018 0.00 0.00 +0.132 C ATOM 12 N LIG 1 -3.200 3.716 -0.109 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -4.234 3.016 -0.725 0.00 0.00 +0.235 C ATOM 14 O LIG 1 -5.274 3.564 -1.098 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -4.061 1.522 -0.932 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -2.921 0.975 -0.232 0.00 0.00 -0.320 N ATOM 17 C LIG 1 -1.877 1.746 0.201 0.00 0.00 +0.064 A ATOM 18 C LIG 1 -1.024 0.861 0.823 0.00 0.00 +0.094 A ATOM 19 N LIG 1 -1.520 -0.417 0.743 0.00 0.00 -0.232 NA ATOM 20 C LIG 1 -2.667 -0.333 0.096 0.00 0.00 +0.114 A ATOM 21 C LIG 1 -1.842 3.190 -0.085 0.00 0.00 +0.163 C BRANCH 20 22 ATOM 22 C LIG 1 -3.573 -1.483 -0.238 0.00 0.00 +0.059 C ATOM 23 C LIG 1 -2.771 -2.731 -0.631 0.00 0.00 +0.039 C ATOM 24 C LIG 1 -3.709 -3.907 -0.865 0.00 0.00 +0.160 C ATOM 25 O LIG 1 -4.516 -4.150 0.286 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -5.339 -3.037 0.625 0.00 0.00 +0.160 C ATOM 27 C LIG 1 -4.495 -1.810 0.941 0.00 0.00 +0.039 C ENDBRANCH 20 22 ENDBRANCH 1 18 BRANCH 5 28 ATOM 28 C LIG 1 5.283 -0.858 -0.056 0.00 0.00 +0.038 A ATOM 29 C LIG 1 5.903 -0.856 -1.288 0.00 0.00 +0.118 A ATOM 30 N LIG 1 7.180 -1.291 -1.071 0.00 0.00 -0.274 N ATOM 31 C LIG 1 8.213 -1.478 -2.060 0.00 0.00 +0.172 C ATOM 32 N LIG 1 7.451 -1.537 0.222 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 6.303 -1.247 0.842 0.00 0.00 +0.144 A ENDBRANCH 5 28 BRANCH 6 34 ATOM 34 C LIG 1 2.866 -1.872 -1.567 0.00 0.00 +0.419 C ATOM 35 F LIG 1 1.641 -2.386 -1.888 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.641 -2.957 -1.295 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.338 -1.344 -2.732 0.00 0.00 -0.166 F ENDBRANCH 6 34 TORSDOF 4