REMARK Name = BDB026298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.217 0.140 -0.801 0.00 0.00 +0.016 A ATOM 2 C LIG 1 0.958 1.504 -0.621 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.937 2.409 -0.764 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.317 1.972 -0.307 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.381 1.076 -0.171 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.135 -0.306 -0.349 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.150 -0.763 -0.658 0.00 0.00 +0.036 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 6.116 0.130 -0.015 0.00 0.00 +0.403 C ATOM 9 N LIG 1 5.005 -0.415 -0.638 0.00 0.00 -0.263 N ATOM 10 C LIG 1 3.699 0.061 -0.190 0.00 0.00 +0.146 C ATOM 11 C LIG 1 2.574 -0.365 -1.112 0.00 0.00 -0.024 C ATOM 12 C LIG 1 2.756 -1.164 -2.181 0.00 0.00 -0.020 C ATOM 13 C LIG 1 4.096 -1.740 -2.517 0.00 0.00 +0.046 C ATOM 14 C LIG 1 5.054 -1.700 -1.328 0.00 0.00 +0.115 C ATOM 15 O LIG 1 6.067 1.068 0.772 0.00 0.00 -0.226 OA BRANCH 8 16 ATOM 16 O LIG 1 7.272 -0.493 -0.371 0.00 0.00 -0.448 OA BRANCH 16 18 ATOM 17 C LIG 1 8.690 -0.601 1.592 0.00 0.00 +0.052 C ATOM 18 C LIG 1 8.484 0.019 0.214 0.00 0.00 +0.172 C ATOM 19 C LIG 1 9.626 -0.361 -0.722 0.00 0.00 +0.052 C ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 N LIG 1 -2.699 1.493 0.155 0.00 0.00 -0.326 N ATOM 21 C LIG 1 -3.278 2.417 -0.853 0.00 0.00 +0.123 C ATOM 22 C LIG 1 -4.613 3.018 -0.326 0.00 0.00 +0.071 C ATOM 23 C LIG 1 -5.246 3.895 -1.408 0.00 0.00 +0.026 C ATOM 24 N LIG 1 -4.446 3.829 0.912 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -5.621 3.704 1.777 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -3.211 3.461 1.643 0.00 0.00 +0.103 C ATOM 27 C LIG 1 -2.817 1.970 1.558 0.00 0.00 +0.120 C ENDBRANCH 5 20 BRANCH 6 28 ATOM 28 N LIG 1 -2.254 -1.150 -0.182 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.090 -0.620 0.064 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.326 -2.506 -0.375 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -1.454 -3.260 -0.784 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.659 -3.085 -0.091 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -4.218 -3.080 1.199 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -5.496 -3.642 1.372 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -6.169 -4.208 0.293 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -7.383 -4.740 0.482 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.600 -4.235 -0.974 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -4.338 -3.676 -1.169 0.00 0.00 +0.016 A BRANCH 33 39 ATOM 39 C LIG 1 -3.489 -2.494 2.377 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.180 -2.848 2.447 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.525 -1.134 2.373 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.031 -2.865 3.573 0.00 0.00 -0.166 F ENDBRANCH 33 39 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7