REMARK Name = BDB035836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.566 0.739 0.495 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.483 1.584 0.869 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.519 2.538 1.624 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.678 1.127 0.149 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.962 1.641 0.199 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.945 1.025 -0.587 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.599 -0.091 -1.388 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.288 -0.603 -1.425 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.333 0.035 -0.637 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.120 -0.268 -0.462 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.238 -0.085 0.880 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.877 -0.099 0.476 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.909 0.802 0.957 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.324 1.748 1.895 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.647 1.787 2.335 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.584 0.884 1.835 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.348 -2.358 1.705 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.151 -2.612 0.767 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.290 -1.137 0.251 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.763 -1.204 0.772 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.258 -1.028 -1.331 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.578 0.062 -2.093 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.019 1.353 -1.642 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.373 -0.310 -3.385 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.949 -1.551 -3.422 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.868 -2.003 -2.126 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.101 -1.839 3.956 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.009 -1.995 3.062 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.925 -1.789 -2.276 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.411 -2.813 -1.541 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.976 -1.482 -3.203 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.974 -2.311 -2.969 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.370 1.530 -0.568 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.250 0.564 0.090 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.913 0.414 1.042 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.648 1.009 0.110 0.00 0.00 +0.065 C ATOM 37 C LIG 1 8.543 0.667 -1.052 0.00 0.00 +0.039 C ATOM 38 C LIG 1 9.801 1.419 -1.309 0.00 0.00 +0.165 C ATOM 39 O LIG 1 10.522 1.442 -0.062 0.00 0.00 -0.379 OA ATOM 40 C LIG 1 10.091 0.312 0.719 0.00 0.00 +0.165 C ATOM 41 C LIG 1 8.726 -0.036 0.236 0.00 0.00 +0.039 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8