REMARK Name = BDB065069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.906 0.167 3.017 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.850 -0.658 2.348 0.00 0.00 +0.148 A ATOM 3 C LIG 1 3.351 -1.767 3.012 0.00 0.00 +0.036 A ATOM 4 C LIG 1 4.252 -2.530 2.301 0.00 0.00 +0.124 A ATOM 5 N LIG 1 4.645 -2.246 1.045 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 4.120 -1.138 0.489 0.00 0.00 +0.163 A ATOM 7 C LIG 1 2.938 -2.087 4.368 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.056 -1.292 4.979 0.00 0.00 +0.071 A ATOM 9 N LIG 1 3.233 -0.333 1.097 0.00 0.00 -0.209 NA ATOM 10 C LIG 1 1.483 -0.097 4.308 0.00 0.00 +0.253 A ATOM 11 O LIG 1 0.674 0.586 4.934 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 4.499 -0.837 -0.895 0.00 0.00 +0.035 A ATOM 13 C LIG 1 4.702 0.485 -1.369 0.00 0.00 +0.050 A ATOM 14 C LIG 1 5.045 0.749 -2.704 0.00 0.00 +0.079 A ATOM 15 N LIG 1 5.209 2.085 -3.038 0.00 0.00 -0.247 NA ATOM 16 C LIG 1 5.012 2.830 -1.979 0.00 0.00 +0.157 A ATOM 17 C LIG 1 5.204 -0.324 -3.602 0.00 0.00 +0.029 A ATOM 18 C LIG 1 5.028 -1.633 -3.161 0.00 0.00 +0.003 A ATOM 19 S LIG 1 4.627 2.008 -0.536 0.00 0.00 -0.075 S ATOM 20 C LIG 1 4.687 -1.878 -1.836 0.00 0.00 +0.013 A ENDBRANCH 6 12 BRANCH 1 21 ATOM 21 C LIG 1 1.323 1.292 2.296 0.00 0.00 +0.162 C BRANCH 21 25 ATOM 22 C LIG 1 -2.093 0.109 -0.097 0.00 0.00 +0.017 A ATOM 23 C LIG 1 -0.838 0.280 -0.689 0.00 0.00 +0.012 A ATOM 24 C LIG 1 0.261 0.675 0.079 0.00 0.00 +0.006 A ATOM 25 C LIG 1 0.127 0.893 1.457 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -1.128 0.699 2.051 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -2.227 0.306 1.282 0.00 0.00 +0.012 A BRANCH 22 29 ATOM 28 N LIG 1 -4.399 0.405 -1.099 0.00 0.00 -0.327 N ATOM 29 C LIG 1 -3.229 -0.307 -0.918 0.00 0.00 +0.142 A ATOM 30 N LIG 1 -3.266 -1.421 -1.628 0.00 0.00 -0.224 NA ATOM 31 C LIG 1 -4.507 -1.475 -2.241 0.00 0.00 +0.162 A ATOM 32 C LIG 1 -5.222 -0.341 -1.905 0.00 0.00 +0.120 A BRANCH 31 33 ATOM 33 C LIG 1 -4.922 -2.620 -3.117 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -6.168 -2.433 -3.638 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -4.964 -3.800 -2.444 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -4.088 -2.794 -4.176 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 28 38 ATOM 37 C LIG 1 -5.032 2.724 -1.703 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -4.714 1.735 -0.580 0.00 0.00 +0.083 C ATOM 39 C LIG 1 -5.847 1.677 0.445 0.00 0.00 +0.030 C ENDBRANCH 28 38 ENDBRANCH 22 29 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 6