REMARK Name = BDB050364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.618 1.494 1.099 0.00 0.00 +0.100 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.642 1.496 0.314 0.00 0.00 +0.086 A ATOM 3 C LIG 1 -0.914 2.083 -0.903 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -0.140 2.888 -1.863 0.00 0.00 +0.088 C ATOM 5 O LIG 1 -2.215 1.812 -1.218 0.00 0.00 -0.440 OA ATOM 6 C LIG 1 -2.676 1.071 -0.161 0.00 0.00 +0.228 A ATOM 7 N LIG 1 -1.770 0.856 0.775 0.00 0.00 -0.214 NA BRANCH 6 8 ATOM 8 C LIG 1 -4.067 0.630 -0.219 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -4.596 -0.134 0.830 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -5.926 -0.571 0.802 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -6.769 -0.258 -0.276 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -6.234 0.507 -1.324 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -4.904 0.945 -1.297 0.00 0.00 +0.014 A BRANCH 11 14 ATOM 14 C LIG 1 -8.167 -0.717 -0.305 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -9.039 -0.451 0.764 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -10.367 -0.885 0.737 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -10.846 -1.595 -0.362 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -9.999 -1.869 -1.432 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.671 -1.433 -1.403 0.00 0.00 +0.008 A ENDBRANCH 11 14 ENDBRANCH 6 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 0.982 0.106 1.624 0.00 0.00 +0.235 C BRANCH 20 21 ATOM 21 O LIG 1 2.277 0.119 2.232 0.00 0.00 -0.491 OA BRANCH 21 30 ATOM 22 C LIG 1 8.210 -0.788 0.149 0.00 0.00 +0.144 A ATOM 23 C LIG 1 8.213 -0.523 1.603 0.00 0.00 +0.351 A ATOM 24 O LIG 1 9.242 -0.418 2.260 0.00 0.00 -0.244 OA ATOM 25 O LIG 1 6.967 -0.361 2.209 0.00 0.00 -0.421 OA ATOM 26 C LIG 1 5.775 -0.350 1.463 0.00 0.00 +0.143 A ATOM 27 C LIG 1 5.798 -0.539 0.087 0.00 0.00 +0.019 A ATOM 28 C LIG 1 4.593 -0.507 -0.614 0.00 0.00 +0.015 A ATOM 29 C LIG 1 3.386 -0.289 0.066 0.00 0.00 +0.046 A ATOM 30 C LIG 1 3.376 -0.105 1.451 0.00 0.00 +0.124 A ATOM 31 C LIG 1 4.584 -0.134 2.151 0.00 0.00 +0.092 A ATOM 32 C LIG 1 7.073 -0.776 -0.567 0.00 0.00 +0.033 A BRANCH 22 33 ATOM 33 C LIG 1 9.450 -1.069 -0.600 0.00 0.00 +0.346 C ATOM 34 O LIG 1 9.636 -0.722 -1.758 0.00 0.00 -0.245 OA BRANCH 33 36 ATOM 35 C LIG 1 11.526 -2.142 -0.510 0.00 0.00 +0.280 C ATOM 36 O LIG 1 10.296 -1.823 0.142 0.00 0.00 -0.464 OA ENDBRANCH 33 36 ENDBRANCH 22 33 ENDBRANCH 21 30 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8