REMARK Name = BDB035526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.332 1.323 1.357 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.327 0.115 1.102 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.104 -1.002 0.883 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.767 0.391 1.176 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.827 -0.474 0.977 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.139 0.022 1.101 0.00 0.00 -0.029 A ATOM 7 C LIG 1 4.316 1.387 1.440 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.225 2.259 1.640 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.946 1.729 1.498 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.615 2.390 1.648 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.045 0.721 0.925 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.638 0.550 0.926 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.738 1.538 1.356 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.273 2.759 1.784 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.651 2.969 1.804 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.519 1.962 1.387 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.274 -2.108 1.080 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.425 -0.574 1.113 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.024 -0.449 0.421 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.750 -1.886 0.995 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.059 -0.459 -1.171 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.828 0.290 -2.019 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.810 1.287 -1.701 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.478 -0.089 -3.279 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.540 -1.003 -3.221 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.270 -1.231 -1.893 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.577 -4.087 -0.305 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.944 -2.742 -0.032 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.425 3.709 1.987 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.808 4.048 3.153 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.729 4.066 2.134 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.908 4.542 1.042 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.306 -0.942 0.890 0.00 0.00 +0.081 C ATOM 34 C LIG 1 6.707 -0.409 1.211 0.00 0.00 +0.029 C BRANCH 33 35 ATOM 35 N LIG 1 5.226 -1.671 -0.389 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 5.657 -2.586 -0.261 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 5.672 -0.974 -1.608 0.00 0.00 +0.017 C ATOM 38 C LIG 1 5.458 -1.986 -2.781 0.00 0.00 +0.022 C ATOM 39 C LIG 1 6.877 -1.629 -3.269 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.198 -1.195 -1.824 0.00 0.00 +0.022 C ATOM 41 C LIG 1 5.087 0.398 -1.881 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 6 33 TORSDOF 8