REMARK Name = BDB025806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.716 -0.755 -0.632 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.119 0.510 -0.401 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.257 0.616 -0.162 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.089 -0.520 -0.163 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.478 -1.759 -0.411 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.215 -2.880 -0.438 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.892 -1.881 -0.640 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.105 -2.845 1.995 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.125 -2.417 0.932 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.173 -3.425 -0.159 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.050 -4.548 0.172 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.595 -2.791 -1.419 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.593 -1.719 -1.900 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.119 -0.821 -0.818 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.860 -0.948 0.464 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.535 -0.406 0.081 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.259 -1.297 0.848 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.587 -1.211 1.089 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.260 -0.187 0.541 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.651 0.736 -0.221 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.321 0.608 -0.430 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.626 -0.059 0.799 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.349 0.736 -0.205 0.00 0.00 +0.136 C ATOM 24 C LIG 1 8.820 0.893 0.209 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.445 -0.380 0.441 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.760 -1.073 1.497 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.285 -1.326 1.146 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.996 1.613 -0.471 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -2.940 1.326 -0.704 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.730 2.954 -0.269 0.00 0.00 +0.268 C ATOM 31 O LIG 1 -0.636 3.399 0.068 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.907 3.833 -0.484 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -2.901 5.120 -0.085 0.00 0.00 -0.167 NA ATOM 34 N LIG 1 -4.099 5.603 -0.443 0.00 0.00 -0.274 N ATOM 35 C LIG 1 -4.417 6.982 -0.163 0.00 0.00 +0.172 C ATOM 36 C LIG 1 -4.894 4.685 -1.056 0.00 0.00 +0.109 A ATOM 37 C LIG 1 -4.155 3.526 -1.105 0.00 0.00 +0.054 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5