REMARK Name = BDB036029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.419 0.877 -0.565 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.089 0.701 0.802 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.764 0.485 1.226 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.780 0.450 0.242 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.692 0.234 0.372 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.175 0.309 -1.001 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.123 0.545 -1.894 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.110 0.680 -3.103 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.107 0.629 -1.096 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.403 0.846 -1.529 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.547 0.139 -1.336 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.515 -0.057 -0.329 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.894 -0.233 -0.597 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.269 -0.210 -1.953 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.337 -0.016 -2.969 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.988 0.158 -2.660 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.995 -0.440 0.552 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -6.733 -1.830 0.527 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -6.766 -1.796 2.072 0.00 0.00 +0.094 C ATOM 20 C LIG 1 -5.544 -0.845 1.998 0.00 0.00 +0.037 C BRANCH 17 21 ATOM 21 C LIG 1 -7.001 0.792 0.581 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.704 2.125 0.674 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.412 2.746 0.763 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.900 2.776 0.673 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.875 1.902 0.597 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -8.310 0.652 0.538 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 -6.527 -3.059 2.733 0.00 0.00 +0.066 C ATOM 28 N LIG 1 -6.311 -4.067 3.265 0.00 0.00 -0.196 NA ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 1.419 0.283 2.676 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.424 1.122 3.084 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.456 0.488 3.529 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.960 -0.974 2.923 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.859 1.113 -0.978 0.00 0.00 +0.119 C BRANCH 33 41 ATOM 34 C LIG 1 9.569 -0.176 -0.191 0.00 0.00 +0.015 C ATOM 35 C LIG 1 8.194 -0.619 -0.688 0.00 0.00 +0.069 C ATOM 36 C LIG 1 7.696 -1.855 0.041 0.00 0.00 +0.254 C ATOM 37 F LIG 1 7.635 -1.607 1.376 0.00 0.00 -0.205 F ATOM 38 F LIG 1 8.589 -2.869 -0.110 0.00 0.00 -0.205 F ATOM 39 C LIG 1 6.336 -2.324 -0.454 0.00 0.00 +0.091 C ATOM 40 C LIG 1 5.574 -1.219 -1.186 0.00 0.00 +0.090 C ATOM 41 N LIG 1 5.768 0.059 -0.506 0.00 0.00 -0.298 NA ATOM 42 C LIG 1 7.167 0.515 -0.543 0.00 0.00 +0.093 C ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 7