REMARK Name = BDB027309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.456 -0.941 -1.044 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.327 -1.038 0.115 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.350 -1.479 1.264 0.00 0.00 +0.134 A ATOM 4 N LIG 1 1.654 -1.842 1.341 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.379 -1.799 0.207 0.00 0.00 +0.074 A ATOM 6 C LIG 1 1.812 -1.349 -0.986 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.790 -2.210 0.339 0.00 0.00 +0.038 A ATOM 8 C LIG 1 4.505 -2.831 -0.695 0.00 0.00 +0.136 A ATOM 9 F LIG 1 3.916 -3.086 -1.874 0.00 0.00 -0.205 F ATOM 10 C LIG 1 5.839 -3.220 -0.545 0.00 0.00 +0.087 A ATOM 11 C LIG 1 6.514 -2.990 0.656 0.00 0.00 +0.165 A ATOM 12 C LIG 1 5.820 -2.374 1.694 0.00 0.00 +0.166 A ATOM 13 F LIG 1 6.407 -2.121 2.869 0.00 0.00 -0.202 F ATOM 14 C LIG 1 4.482 -1.998 1.545 0.00 0.00 +0.055 A BRANCH 11 15 ATOM 15 O LIG 1 7.812 -3.415 0.663 0.00 0.00 -0.431 OA BRANCH 15 16 ATOM 16 C LIG 1 8.571 -3.173 1.840 0.00 0.00 +0.541 C ATOM 17 F LIG 1 8.138 -3.995 2.829 0.00 0.00 -0.166 F ATOM 18 F LIG 1 9.849 -3.544 1.566 0.00 0.00 -0.166 F ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 2 19 ATOM 19 N LIG 1 -1.677 -0.729 0.239 0.00 0.00 -0.327 N ATOM 20 C LIG 1 -1.979 0.579 0.871 0.00 0.00 +0.129 C ATOM 21 C LIG 1 -3.336 0.481 1.640 0.00 0.00 +0.064 C ATOM 22 C LIG 1 -4.417 -0.012 0.631 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.020 -1.302 -0.097 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -2.651 -1.165 -0.759 0.00 0.00 +0.105 C BRANCH 21 25 ATOM 25 N LIG 1 -3.204 -0.530 2.717 0.00 0.00 -0.321 NA ATOM 26 H LIG 1 -4.125 -0.856 3.013 0.00 0.00 +0.119 HD ATOM 27 H LIG 1 -2.731 -1.349 2.318 0.00 0.00 +0.119 HD ENDBRANCH 21 25 BRANCH 21 28 ATOM 28 C LIG 1 -3.761 1.864 2.221 0.00 0.00 +0.202 C BRANCH 28 29 ATOM 29 C LIG 1 -2.829 2.427 3.302 0.00 0.00 +0.371 C ATOM 30 F LIG 1 -2.973 1.771 4.478 0.00 0.00 -0.206 F ATOM 31 F LIG 1 -3.221 3.714 3.552 0.00 0.00 -0.206 F ENDBRANCH 28 29 BRANCH 28 32 ATOM 32 O LIG 1 -3.889 2.823 1.153 0.00 0.00 -0.384 OA ATOM 33 H LIG 1 -4.112 3.676 1.579 0.00 0.00 +0.210 HD ENDBRANCH 28 32 ENDBRANCH 21 28 ENDBRANCH 2 19 BRANCH 1 34 ATOM 34 C LIG 1 -0.016 -0.339 -2.350 0.00 0.00 +0.161 C BRANCH 34 39 ATOM 35 C LIG 1 -1.942 4.046 -3.073 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -1.030 3.110 -2.557 0.00 0.00 +0.147 A ATOM 37 N LIG 1 0.089 3.242 -1.759 0.00 0.00 -0.231 NA ATOM 38 C LIG 1 0.553 2.015 -1.630 0.00 0.00 +0.202 A ATOM 39 N LIG 1 -0.241 1.094 -2.263 0.00 0.00 -0.310 N ATOM 40 C LIG 1 -1.253 1.781 -2.880 0.00 0.00 +0.166 A ATOM 41 N LIG 1 -2.247 1.284 -3.635 0.00 0.00 -0.216 NA ATOM 42 C LIG 1 -3.062 2.271 -4.063 0.00 0.00 +0.225 A ATOM 43 N LIG 1 -2.973 3.597 -3.825 0.00 0.00 -0.219 NA BRANCH 35 44 ATOM 44 N LIG 1 -1.839 5.410 -2.842 0.00 0.00 -0.341 N ATOM 45 H LIG 1 -1.267 5.648 -2.039 0.00 0.00 +0.144 HD ATOM 46 H LIG 1 -2.718 5.893 -2.967 0.00 0.00 +0.144 HD ENDBRANCH 35 44 ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 11