REMARK Name = BDB035810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.568 -1.545 0.461 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.203 -0.384 0.332 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.100 0.790 0.424 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.578 -0.811 0.042 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.699 -0.032 -0.176 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.914 -0.683 -0.436 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.953 -2.098 -0.479 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.801 -2.877 -0.254 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.613 -2.200 0.008 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.246 -2.740 0.281 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.125 -0.528 1.173 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.743 -0.458 0.899 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.961 -1.612 0.740 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.601 -2.855 0.865 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.967 -2.943 1.148 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.724 -1.788 1.306 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.970 0.734 1.364 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -5.362 0.260 -1.717 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.983 1.492 -1.080 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.799 1.742 0.261 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.496 3.019 0.394 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.464 3.598 -0.849 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.744 2.666 -1.725 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.738 1.230 2.792 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.471 2.478 3.315 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.287 2.864 4.070 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -3.477 2.010 3.208 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.840 -4.380 -0.295 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.071 -4.892 -0.563 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.446 -4.936 0.884 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.003 -4.890 -1.241 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.162 0.129 -0.703 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.126 0.692 -2.048 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.030 -0.056 -2.733 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.279 1.556 -2.369 0.00 0.00 +0.017 C ATOM 36 C LIG 1 5.976 2.767 -3.223 0.00 0.00 +0.023 C ATOM 37 C LIG 1 6.319 2.944 -1.774 0.00 0.00 +0.023 C ATOM 38 C LIG 1 7.593 0.856 -2.617 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8