REMARK Name = BDB026040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.255 1.073 -0.088 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.785 -0.243 0.141 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.411 -0.509 0.213 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.541 0.512 0.045 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.053 1.806 -0.190 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.906 2.827 -0.369 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.312 2.089 -0.253 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.048 4.219 1.296 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.991 3.010 1.234 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.957 3.227 0.125 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.332 3.021 0.589 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.665 2.393 -1.072 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.186 3.097 -2.330 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.153 2.094 -1.255 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.646 1.308 -0.115 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.211 1.667 1.208 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.982 0.227 0.113 0.00 0.00 +0.021 A ATOM 18 C LIG 1 2.902 1.048 0.734 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.230 0.804 0.812 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 4.696 -0.318 0.244 0.00 0.00 +0.218 A ATOM 21 N LIG 1 3.888 -1.185 -0.387 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 2.567 -0.897 -0.436 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.041 -0.605 0.329 0.00 0.00 -0.297 N ATOM 24 C LIG 1 6.546 -1.729 -0.460 0.00 0.00 +0.123 C ATOM 25 C LIG 1 8.056 -1.927 -0.212 0.00 0.00 +0.103 C ATOM 26 N LIG 1 8.898 -0.745 -0.500 0.00 0.00 -0.296 NA ATOM 27 C LIG 1 8.131 0.516 -0.374 0.00 0.00 +0.103 C ATOM 28 C LIG 1 6.985 0.464 0.660 0.00 0.00 +0.123 C BRANCH 26 29 ATOM 29 C LIG 1 9.588 -0.837 -1.796 0.00 0.00 +0.057 C ATOM 30 C LIG 1 10.885 -0.099 -1.989 0.00 0.00 +0.020 C ATOM 31 C LIG 1 10.884 -1.595 -1.881 0.00 0.00 +0.020 C ENDBRANCH 26 29 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.778 -1.238 0.271 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.717 -0.854 0.188 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.604 -2.597 0.364 0.00 0.00 +0.249 C ATOM 35 O LIG 1 -1.562 -3.234 0.321 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.869 -3.352 0.481 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.642 -3.322 1.655 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -5.840 -4.057 1.680 0.00 0.00 +0.051 A ATOM 39 C LIG 1 -6.226 -4.811 0.574 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -7.369 -5.506 0.621 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -5.444 -4.857 -0.574 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -4.257 -4.128 -0.622 0.00 0.00 +0.016 A BRANCH 37 43 ATOM 43 C LIG 1 -4.216 -2.526 2.858 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -4.401 -1.189 2.676 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.912 -2.692 3.195 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.927 -2.838 3.978 0.00 0.00 -0.166 F ENDBRANCH 37 43 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7