REMARK Name = BDB026263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.146 -0.216 0.215 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.692 0.441 1.387 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.580 0.150 1.922 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.484 -0.685 1.253 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.073 -1.231 0.039 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.888 -2.050 -0.645 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.209 -1.010 -0.467 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.756 -0.416 -3.261 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.398 -0.484 -1.771 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.015 -1.599 -1.006 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.450 -2.755 -1.774 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.274 -1.933 0.241 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.378 -3.183 0.167 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.455 -0.733 0.807 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.491 -0.183 -0.181 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.855 -0.402 -1.598 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.814 -0.953 1.798 0.00 0.00 +0.079 A ATOM 18 N LIG 1 3.846 -0.452 1.091 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 5.094 -0.663 1.537 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.343 -1.335 2.672 0.00 0.00 -0.223 NA ATOM 21 C LIG 1 4.295 -1.815 3.363 0.00 0.00 +0.116 A ATOM 22 C LIG 1 2.994 -1.652 2.970 0.00 0.00 +0.048 A BRANCH 19 23 ATOM 23 N LIG 1 6.153 -0.139 0.820 0.00 0.00 -0.295 N ATOM 24 C LIG 1 5.851 0.334 -0.536 0.00 0.00 +0.136 C ATOM 25 C LIG 1 7.146 0.801 -1.216 0.00 0.00 +0.179 C ATOM 26 O LIG 1 8.136 -0.233 -1.339 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.049 -1.231 -0.310 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.490 -0.705 1.023 0.00 0.00 +0.136 C ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.430 1.399 2.112 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.240 1.464 3.105 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.315 2.361 1.718 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -2.951 2.964 2.586 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.438 2.790 0.297 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -1.342 3.314 -0.517 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -1.587 3.696 -1.787 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -2.955 3.620 -2.352 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -3.182 3.911 -3.519 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.937 3.231 -1.475 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.881 3.219 -1.842 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.692 2.830 -0.185 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 0.009 3.532 0.094 0.00 0.00 +0.372 C ATOM 42 F LIG 1 0.637 4.602 -0.475 0.00 0.00 -0.204 F ATOM 43 F LIG 1 0.826 2.471 -0.133 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6