REMARK Name = BDB047676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.689 0.146 -1.956 0.00 0.00 +0.229 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -3.080 0.148 -1.637 0.00 0.00 -0.492 OA BRANCH 2 11 ATOM 3 C LIG 1 -4.876 0.337 -0.139 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -5.305 0.359 1.195 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -4.478 0.260 2.298 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -5.364 0.333 3.408 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -6.639 0.459 2.999 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -3.098 0.118 2.092 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -2.617 0.082 0.773 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -6.593 0.476 1.617 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -3.481 0.190 -0.325 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -5.007 0.263 4.850 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -3.793 0.829 5.101 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -4.922 -1.022 5.289 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -5.895 0.897 5.660 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -5.840 0.429 -1.294 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -7.225 -0.857 -2.960 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -6.245 -0.956 -1.802 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.162 -1.286 -2.029 0.00 0.00 +0.044 C BRANCH 19 20 ATOM 20 C LIG 1 0.293 -1.377 -2.480 0.00 0.00 +0.044 C BRANCH 20 21 ATOM 21 C LIG 1 1.282 -0.793 -1.473 0.00 0.00 +0.229 C BRANCH 21 22 ATOM 22 O LIG 1 2.598 -1.020 -1.975 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 3.643 -0.596 -1.198 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.534 0.080 0.021 0.00 0.00 +0.055 A ATOM 25 C LIG 1 4.702 0.460 0.717 0.00 0.00 +0.003 A ATOM 26 C LIG 1 4.932 1.140 1.944 0.00 0.00 +0.028 A ATOM 27 C LIG 1 6.293 1.236 2.123 0.00 0.00 +0.087 A ATOM 28 N LIG 1 6.902 0.628 1.055 0.00 0.00 -0.336 N ATOM 29 C LIG 1 5.952 0.151 0.173 0.00 0.00 +0.050 A ATOM 30 C LIG 1 6.078 -0.526 -1.048 0.00 0.00 +0.030 A ATOM 31 C LIG 1 4.904 -0.889 -1.718 0.00 0.00 +0.048 A BRANCH 28 32 ATOM 32 C LIG 1 8.343 0.563 0.859 0.00 0.00 +0.242 C BRANCH 32 33 ATOM 33 C LIG 1 8.925 -0.765 1.259 0.00 0.00 +0.325 C ATOM 34 O LIG 1 8.424 -1.641 1.942 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 10.187 -0.920 0.796 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 10.453 -1.804 1.132 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13