REMARK Name = BDB008062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.896 0.185 -1.022 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.079 -0.161 0.692 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.256 0.066 0.352 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -0.979 0.193 1.596 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -0.049 0.157 2.631 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -0.399 0.297 3.980 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.752 0.471 4.279 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.713 0.504 3.275 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -2.235 0.650 5.921 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -2.341 0.365 1.931 0.00 0.00 +0.012 A ATOM 11 N LIG 1 1.181 -0.022 2.058 0.00 0.00 -0.349 N ATOM 12 H LIG 1 2.056 -0.088 2.565 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 2.218 -0.483 -0.136 0.00 0.00 +0.356 C ATOM 14 O LIG 1 2.157 -0.948 -1.263 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 3.365 -0.218 0.549 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 4.907 0.802 -1.016 0.00 0.00 +0.048 C ATOM 17 C LIG 1 4.582 -0.425 -0.184 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -0.927 -1.120 -1.871 0.00 0.00 +0.239 C ATOM 19 N LIG 1 -1.038 -2.300 -1.151 0.00 0.00 -0.309 N ATOM 20 H LIG 1 -0.835 -2.252 -0.160 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 -0.959 -1.087 -3.101 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 -1.019 -3.645 -1.747 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -1.181 -4.668 -0.607 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -2.184 -3.841 -2.731 0.00 0.00 +0.031 C ATOM 25 C LIG 1 0.321 -3.909 -2.451 0.00 0.00 +0.031 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 N LIG 1 -0.439 1.408 -1.714 0.00 0.00 -0.284 N ATOM 27 C LIG 1 0.658 1.410 -2.557 0.00 0.00 +0.329 C ATOM 28 O LIG 1 1.147 2.407 -3.078 0.00 0.00 -0.279 OA BRANCH 26 29 ATOM 29 C LIG 1 -1.107 2.680 -1.454 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 -0.898 3.240 -0.073 0.00 0.00 +0.046 A ATOM 31 C LIG 1 0.377 3.456 0.464 0.00 0.00 +0.169 A ATOM 32 F LIG 1 1.470 3.148 -0.247 0.00 0.00 -0.202 F ATOM 33 C LIG 1 0.542 3.961 1.752 0.00 0.00 +0.197 A ATOM 34 F LIG 1 1.775 4.125 2.253 0.00 0.00 -0.199 F ATOM 35 C LIG 1 -0.566 4.282 2.521 0.00 0.00 +0.199 A ATOM 36 F LIG 1 -0.407 4.762 3.762 0.00 0.00 -0.199 F ATOM 37 C LIG 1 -1.838 4.104 2.001 0.00 0.00 +0.197 A ATOM 38 F LIG 1 -2.915 4.412 2.737 0.00 0.00 -0.199 F ATOM 39 C LIG 1 -1.999 3.592 0.715 0.00 0.00 +0.169 A ATOM 40 F LIG 1 -3.240 3.409 0.239 0.00 0.00 -0.202 F ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9