REMARK Name = BDB026951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.031 -0.049 -0.774 0.00 0.00 +0.186 C ATOM 2 O LIG 1 1.052 0.902 0.014 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 -4.124 -0.826 0.637 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -3.688 -1.678 -0.392 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.363 -1.561 -0.841 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.461 -0.641 -0.310 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.210 -0.805 -1.001 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.409 -1.815 -1.928 0.00 0.00 +0.095 A ATOM 9 C LIG 1 -1.912 0.207 0.724 0.00 0.00 +0.011 A ATOM 10 N LIG 1 -1.702 -2.256 -1.826 0.00 0.00 -0.360 N ATOM 11 H LIG 1 -2.119 -2.983 -2.393 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 -3.233 0.105 1.184 0.00 0.00 +0.009 A BRANCH 3 17 ATOM 13 C LIG 1 -8.581 0.308 2.520 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -7.458 -0.401 1.955 0.00 0.00 -0.274 N ATOM 15 N LIG 1 -7.577 -1.710 1.667 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 -6.381 -2.027 1.163 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -5.491 -0.926 1.122 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.232 0.115 1.645 0.00 0.00 +0.116 A ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 2.310 -0.458 -1.550 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 2.347 0.173 -2.938 0.00 0.00 -0.023 A ATOM 21 C LIG 1 2.697 -0.610 -4.051 0.00 0.00 +0.005 A ATOM 22 C LIG 1 2.740 -0.053 -5.331 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.445 1.296 -5.515 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.116 2.091 -4.419 0.00 0.00 +0.000 A ATOM 25 C LIG 1 2.073 1.537 -3.138 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 3.542 -0.083 -0.813 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 3.392 0.832 -0.378 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.969 -1.060 0.192 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.394 -0.875 1.609 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 3.867 0.377 2.314 0.00 0.00 -0.046 A ATOM 31 C LIG 1 2.958 1.392 2.650 0.00 0.00 +0.006 A ATOM 32 C LIG 1 3.393 2.545 3.308 0.00 0.00 +0.038 A ATOM 33 C LIG 1 4.736 2.682 3.635 0.00 0.00 +0.123 A ATOM 34 F LIG 1 5.152 3.788 4.268 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.652 1.687 3.319 0.00 0.00 +0.038 A ATOM 36 C LIG 1 5.218 0.533 2.663 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 1 19 TORSDOF 8