REMARK Name = BDB046592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.205 1.466 -1.488 0.00 0.00 +0.244 C ATOM 2 N LIG 1 2.353 0.780 -1.146 0.00 0.00 -0.307 N ATOM 3 H LIG 1 2.385 0.372 -0.219 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.162 2.298 -2.387 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 -2.331 0.708 0.842 0.00 0.00 -0.047 A ATOM 6 C LIG 1 -1.342 -0.279 0.735 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.187 -0.050 -0.020 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -0.007 1.175 -0.672 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -1.001 2.156 -0.583 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -2.153 1.926 0.172 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 -3.588 0.452 1.644 0.00 0.00 +0.049 C BRANCH 11 12 ATOM 12 C LIG 1 -4.773 0.013 0.769 0.00 0.00 +0.102 C BRANCH 12 14 ATOM 13 C LIG 1 -6.242 -0.567 2.812 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -6.128 0.168 1.482 0.00 0.00 +0.011 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -4.604 -1.415 0.297 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -4.006 -2.315 0.863 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -5.238 -1.648 -0.870 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -5.054 -2.591 -1.060 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 19 ATOM 19 C LIG 1 3.610 1.126 -1.765 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 4.606 -0.007 -1.646 0.00 0.00 -0.019 A ATOM 21 C LIG 1 5.298 -0.284 -0.441 0.00 0.00 +0.062 A ATOM 22 C LIG 1 6.206 -1.359 -0.407 0.00 0.00 +0.051 A ATOM 23 C LIG 1 6.411 -2.143 -1.537 0.00 0.00 +0.124 A ATOM 24 F LIG 1 7.277 -3.163 -1.481 0.00 0.00 -0.205 F ATOM 25 C LIG 1 5.727 -1.888 -2.716 0.00 0.00 +0.038 A ATOM 26 C LIG 1 4.826 -0.827 -2.770 0.00 0.00 +0.008 A BRANCH 21 27 ATOM 27 C LIG 1 5.074 0.533 0.810 0.00 0.00 +0.418 C ATOM 28 F LIG 1 5.396 1.845 0.648 0.00 0.00 -0.166 F ATOM 29 F LIG 1 5.794 0.102 1.882 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.770 0.508 1.210 0.00 0.00 -0.166 F ENDBRANCH 21 27 ENDBRANCH 19 20 ENDBRANCH 2 19 TORSDOF 9