REMARK Name = BDB030540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.000 -0.957 -0.123 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -0.033 -0.068 -0.588 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -0.215 1.264 -0.560 0.00 0.00 -0.198 F ATOM 4 C LIG 1 1.155 -0.580 -1.104 0.00 0.00 +0.159 A ATOM 5 N LIG 1 1.367 -1.904 -1.186 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 0.385 -2.691 -0.734 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -0.781 -2.289 -0.209 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 2.108 0.314 -1.628 0.00 0.00 -0.326 N ATOM 9 H LIG 1 2.145 1.161 -1.067 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 3.417 -0.224 -1.983 0.00 0.00 +0.106 C BRANCH 10 11 ATOM 11 C LIG 1 4.299 -0.503 -0.750 0.00 0.00 +0.008 C ATOM 12 C LIG 1 4.567 0.783 0.054 0.00 0.00 +0.020 C ATOM 13 C LIG 1 5.896 0.701 0.801 0.00 0.00 +0.085 C ATOM 14 N LIG 1 7.042 0.617 -0.127 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 6.746 -0.166 -1.339 0.00 0.00 +0.085 C ATOM 16 C LIG 1 5.620 -1.182 -1.159 0.00 0.00 +0.020 C BRANCH 14 17 ATOM 17 C LIG 1 8.239 0.080 0.573 0.00 0.00 +0.180 C BRANCH 17 18 ATOM 18 C LIG 1 8.757 1.075 1.615 0.00 0.00 +0.225 C ATOM 19 O LIG 1 9.153 0.753 2.729 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 8.798 2.375 1.189 0.00 0.00 -0.328 N ATOM 21 H LIG 1 8.183 2.620 0.421 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 9.004 3.076 1.886 0.00 0.00 +0.145 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 23 ATOM 23 N LIG 1 -2.214 -0.509 0.438 0.00 0.00 -0.305 N BRANCH 23 24 ATOM 24 C LIG 1 -2.346 0.826 1.047 0.00 0.00 +0.075 C ATOM 25 C LIG 1 -2.868 1.033 2.446 0.00 0.00 +0.024 C ATOM 26 C LIG 1 -1.426 1.290 2.148 0.00 0.00 +0.024 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -3.258 -1.513 0.660 0.00 0.00 +0.142 C BRANCH 27 34 ATOM 28 C LIG 1 -6.466 0.479 -2.653 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -6.223 -0.002 -1.246 0.00 0.00 -0.038 A ATOM 30 C LIG 1 -7.224 0.060 -0.241 0.00 0.00 +0.061 A ATOM 31 C LIG 1 -6.931 -0.465 1.044 0.00 0.00 -0.038 A ATOM 32 C LIG 1 -7.952 -0.498 2.153 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.644 -0.957 1.324 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.642 -0.969 0.349 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -4.947 -0.501 -0.933 0.00 0.00 +0.009 A BRANCH 30 36 ATOM 36 C LIG 1 -8.599 0.626 -0.564 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -9.425 -0.311 -1.109 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.573 1.660 -1.454 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -9.269 1.125 0.515 0.00 0.00 -0.166 F ENDBRANCH 30 36 ENDBRANCH 27 34 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 10