REMARK Name = BDB010167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.633 -0.967 -1.291 0.00 0.00 +0.202 A ATOM 2 N LIG 1 -0.749 -0.653 -0.276 0.00 0.00 -0.303 N ATOM 3 C LIG 1 0.343 -1.487 -0.401 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.065 -2.212 -1.549 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.868 -3.155 -2.068 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.976 -3.328 -1.326 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.330 -2.679 -0.200 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.526 -1.718 0.298 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.128 -1.864 -2.102 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 2.920 -4.375 -1.854 0.00 0.00 +0.375 C ATOM 11 O LIG 1 3.988 -4.695 -1.362 0.00 0.00 -0.242 OA BRANCH 10 12 ATOM 12 O LIG 1 2.426 -4.944 -2.991 0.00 0.00 -0.475 OA ATOM 13 H LIG 1 1.554 -4.541 -3.217 0.00 0.00 +0.296 HD ENDBRANCH 10 12 ENDBRANCH 6 10 BRANCH 8 14 ATOM 14 N LIG 1 1.888 -1.049 1.456 0.00 0.00 -0.324 N ATOM 15 H LIG 1 1.444 -0.150 1.567 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 3.306 -1.026 1.833 0.00 0.00 +0.072 C ATOM 17 C LIG 1 3.369 -0.876 3.356 0.00 0.00 +0.028 C BRANCH 16 18 ATOM 18 C LIG 1 4.016 0.165 1.183 0.00 0.00 +0.009 C ATOM 19 C LIG 1 5.560 0.253 1.356 0.00 0.00 +0.005 C ATOM 20 C LIG 1 5.608 0.862 -0.060 0.00 0.00 +0.001 C ATOM 21 C LIG 1 4.296 0.104 -0.346 0.00 0.00 +0.005 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 8 14 BRANCH 1 22 ATOM 22 N LIG 1 -2.839 -0.344 -1.401 0.00 0.00 -0.294 N BRANCH 22 23 ATOM 23 C LIG 1 -4.036 -1.133 -0.980 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -4.190 -2.468 -1.723 0.00 0.00 +0.033 C BRANCH 23 25 ATOM 25 C LIG 1 -4.074 -1.256 0.542 0.00 0.00 -0.027 A ATOM 26 C LIG 1 -3.482 -2.328 1.229 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -3.505 -2.384 2.624 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.117 -1.369 3.355 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.704 -0.294 2.692 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.680 -0.236 1.298 0.00 0.00 +0.005 A ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 -3.022 0.398 -2.664 0.00 0.00 +0.108 C BRANCH 31 33 ATOM 32 C LIG 1 -3.782 2.599 -3.632 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -3.623 1.774 -2.365 0.00 0.00 +0.016 C ENDBRANCH 31 33 ENDBRANCH 22 31 ENDBRANCH 1 22 BRANCH 2 34 ATOM 34 C LIG 1 -0.976 0.368 0.739 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -0.052 1.564 0.620 0.00 0.00 -0.028 A ATOM 36 C LIG 1 0.380 2.063 -0.618 0.00 0.00 +0.006 A ATOM 37 C LIG 1 1.234 3.167 -0.682 0.00 0.00 +0.013 A ATOM 38 C LIG 1 1.654 3.816 0.487 0.00 0.00 +0.055 A ATOM 39 C LIG 1 1.200 3.337 1.724 0.00 0.00 +0.013 A ATOM 40 C LIG 1 0.348 2.233 1.788 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 2.605 4.985 0.415 0.00 0.00 +0.417 C ATOM 42 F LIG 1 2.482 5.841 1.469 0.00 0.00 -0.166 F ATOM 43 F LIG 1 2.433 5.745 -0.702 0.00 0.00 -0.166 F ATOM 44 F LIG 1 3.908 4.590 0.405 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 13