REMARK Name = BDB010433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.741 0.350 0.942 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.714 -0.253 0.225 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.486 0.099 0.815 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.110 0.841 1.917 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.969 1.356 2.810 0.00 0.00 -0.205 NA ATOM 6 C LIG 1 -2.237 1.060 2.515 0.00 0.00 +0.183 A ATOM 7 N LIG 1 -2.702 0.350 1.470 0.00 0.00 -0.209 NA ATOM 8 C LIG 1 -1.837 -0.140 0.563 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.240 0.990 1.990 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.488 0.649 1.251 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.128 0.659 1.586 0.00 0.00 +0.035 A ATOM 12 C LIG 1 3.179 0.314 0.625 0.00 0.00 +0.107 A ATOM 13 N LIG 1 3.513 -0.019 -0.642 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.827 -0.030 -0.948 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.835 0.286 -0.052 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.286 -0.258 2.736 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.531 0.995 2.296 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.499 2.079 1.818 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -3.222 1.606 3.410 0.00 0.00 +0.123 A ATOM 20 N LIG 1 -2.898 2.354 4.506 0.00 0.00 -0.254 N ATOM 21 H LIG 1 -1.976 2.623 4.836 0.00 0.00 +0.191 HD ATOM 22 N LIG 1 -3.988 2.750 5.182 0.00 0.00 -0.068 NA ATOM 23 N LIG 1 -5.045 2.281 4.536 0.00 0.00 -0.137 NA ATOM 24 C LIG 1 -4.598 1.582 3.449 0.00 0.00 +0.167 A ENDBRANCH 6 19 BRANCH 8 25 ATOM 25 N LIG 1 -2.267 -0.806 -0.570 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.774 -0.462 -1.390 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.677 -1.088 -0.866 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -4.548 0.160 -0.905 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -4.229 -2.248 -0.021 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.928 -2.049 1.353 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.285 -2.185 0.645 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -5.558 -2.884 -0.513 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.858 -1.207 -0.871 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 C LIG 1 0.595 -0.621 -2.243 0.00 0.00 -0.028 A ATOM 35 C LIG 1 0.897 0.710 -2.576 0.00 0.00 +0.006 A ATOM 36 C LIG 1 0.643 1.202 -3.859 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.099 0.372 -4.848 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.186 -0.964 -4.527 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.066 -1.455 -3.244 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -0.184 0.890 -6.234 0.00 0.00 +0.417 C ATOM 41 F LIG 1 0.253 2.160 -6.446 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.398 0.129 -7.204 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.515 0.903 -6.518 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9