REMARK Name = BDB035809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.162 0.056 1.353 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.464 -0.548 0.302 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.822 -0.865 -0.817 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.900 -0.804 0.784 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.965 -1.370 0.110 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.182 -1.510 0.794 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.278 -1.077 2.139 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.182 -0.502 2.812 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.991 -0.375 2.102 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.324 0.187 2.536 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.610 0.941 0.117 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.273 0.495 0.146 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.510 0.509 1.325 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.120 0.996 2.490 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.446 1.437 2.484 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.187 1.406 1.307 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.442 0.939 -1.163 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -5.899 -2.042 -0.260 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.503 -1.593 -1.567 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.291 -0.306 -1.999 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.976 -0.352 -3.281 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.963 -1.664 -3.681 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.271 -2.398 -2.640 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.211 2.194 -2.013 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -3.833 2.547 -2.602 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.035 3.952 -2.278 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.117 3.592 -1.380 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.285 -0.036 4.239 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.047 1.298 4.364 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.376 -0.650 5.046 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.502 -0.258 4.804 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.378 -2.123 0.098 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 4.801 -1.366 -1.074 0.00 0.00 -0.311 NA ATOM 34 H LIG 1 5.410 -1.935 -1.658 0.00 0.00 +0.122 HD BRANCH 33 35 ATOM 35 C LIG 1 5.466 -0.102 -0.770 0.00 0.00 +0.087 C BRANCH 35 36 ATOM 36 C LIG 1 6.977 -0.240 -0.835 0.00 0.00 -0.020 C ATOM 37 C LIG 1 7.626 -0.423 -2.194 0.00 0.00 +0.008 C ATOM 38 C LIG 1 7.753 0.892 -1.483 0.00 0.00 +0.008 C ATOM 39 C LIG 1 7.623 -0.919 0.345 0.00 0.00 +0.012 C ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9