REMARK Name = BDB065056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.633 0.931 -2.647 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 2.050 -0.455 -2.834 0.00 0.00 -0.288 N ATOM 3 C LIG 1 2.891 -1.052 -1.857 0.00 0.00 +0.148 A ATOM 4 C LIG 1 3.256 -2.379 -2.016 0.00 0.00 +0.036 A ATOM 5 C LIG 1 4.070 -2.893 -1.032 0.00 0.00 +0.124 A ATOM 6 N LIG 1 4.504 -2.183 0.027 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 4.110 -0.896 0.096 0.00 0.00 +0.165 A ATOM 8 C LIG 1 2.801 -3.158 -3.155 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.015 -2.572 -4.064 0.00 0.00 +0.071 A ATOM 10 N LIG 1 3.313 -0.311 -0.814 0.00 0.00 -0.209 NA ATOM 11 C LIG 1 1.593 -1.153 -3.937 0.00 0.00 +0.253 A ATOM 12 O LIG 1 0.868 -0.688 -4.814 0.00 0.00 -0.268 OA BRANCH 7 13 ATOM 13 C LIG 1 4.565 -0.104 1.251 0.00 0.00 +0.054 A ATOM 14 C LIG 1 4.478 1.297 1.287 0.00 0.00 +0.134 A ATOM 15 F LIG 1 3.990 1.988 0.245 0.00 0.00 -0.205 F ATOM 16 C LIG 1 4.905 2.037 2.393 0.00 0.00 +0.039 A ATOM 17 C LIG 1 5.439 1.390 3.502 0.00 0.00 +0.003 A ATOM 18 C LIG 1 5.547 0.003 3.500 0.00 0.00 +0.001 A ATOM 19 C LIG 1 5.116 -0.731 2.389 0.00 0.00 +0.014 A ENDBRANCH 7 13 ENDBRANCH 1 2 BRANCH 1 23 ATOM 20 C LIG 1 -1.970 1.252 -0.257 0.00 0.00 +0.017 A ATOM 21 C LIG 1 -2.050 0.973 -1.626 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -0.888 0.867 -2.396 0.00 0.00 +0.006 A ATOM 23 C LIG 1 0.374 1.056 -1.815 0.00 0.00 -0.028 A ATOM 24 C LIG 1 0.448 1.356 -0.449 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -0.714 1.459 0.322 0.00 0.00 +0.012 A BRANCH 20 27 ATOM 26 N LIG 1 -4.106 0.363 0.774 0.00 0.00 -0.327 N ATOM 27 C LIG 1 -3.172 1.362 0.569 0.00 0.00 +0.142 A ATOM 28 N LIG 1 -3.503 2.437 1.262 0.00 0.00 -0.224 NA ATOM 29 C LIG 1 -4.711 2.166 1.885 0.00 0.00 +0.162 A ATOM 30 C LIG 1 -5.096 0.875 1.575 0.00 0.00 +0.120 A BRANCH 29 31 ATOM 31 C LIG 1 -5.414 3.173 2.747 0.00 0.00 +0.436 C ATOM 32 F LIG 1 -6.558 2.665 3.287 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -5.779 4.285 2.056 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -4.650 3.586 3.793 0.00 0.00 -0.164 F ENDBRANCH 29 31 BRANCH 26 36 ATOM 35 C LIG 1 -5.164 -1.287 -0.728 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -4.052 -1.013 0.285 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -4.085 -2.027 1.431 0.00 0.00 +0.030 C ENDBRANCH 26 36 ENDBRANCH 20 27 ENDBRANCH 1 23 TORSDOF 6