REMARK Name = BDB020576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.514 -0.363 1.934 0.00 0.00 +0.046 A ATOM 2 C LIG 1 1.794 -0.221 1.323 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.954 -0.473 2.083 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.193 -0.373 1.579 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 4.358 -0.025 0.279 0.00 0.00 +0.083 A ATOM 6 C LIG 1 3.295 0.276 -0.562 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.825 -0.848 3.413 0.00 0.00 +0.031 A ATOM 8 C LIG 1 1.578 -0.983 4.020 0.00 0.00 +0.041 A ATOM 9 C LIG 1 2.007 0.159 -0.022 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.433 -0.738 3.278 0.00 0.00 +0.133 A ATOM 11 F LIG 1 -0.755 -0.874 3.887 0.00 0.00 -0.205 F ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -3.504 -1.655 -1.682 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -3.804 -0.907 -0.381 0.00 0.00 +0.171 C ATOM 14 N LIG 1 -2.615 -0.266 0.159 0.00 0.00 -0.318 N ATOM 15 C LIG 1 -1.734 -0.973 0.946 0.00 0.00 +0.064 A ATOM 16 C LIG 1 -0.705 -0.096 1.197 0.00 0.00 +0.097 A ATOM 17 N LIG 1 -0.977 1.125 0.634 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 -2.026 -2.372 1.317 0.00 0.00 +0.163 C ATOM 19 N LIG 1 -3.467 -2.515 1.493 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -3.924 -3.580 2.366 0.00 0.00 +0.132 C ATOM 21 C LIG 1 -2.173 1.033 0.076 0.00 0.00 +0.115 A ATOM 22 C LIG 1 -4.375 -1.901 0.632 0.00 0.00 +0.238 C ATOM 23 O LIG 1 -5.579 -2.166 0.629 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 -2.912 2.227 -0.468 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -4.121 2.603 0.388 0.00 0.00 +0.039 C ATOM 26 C LIG 1 -4.757 3.898 -0.115 0.00 0.00 +0.160 C ATOM 27 O LIG 1 -4.554 4.133 -1.510 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -4.525 2.938 -2.279 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -3.268 2.139 -1.955 0.00 0.00 +0.039 C ENDBRANCH 21 24 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 5.749 0.036 -0.123 0.00 0.00 +0.038 A ATOM 31 C LIG 1 6.306 -0.563 -1.235 0.00 0.00 +0.118 A ATOM 32 N LIG 1 7.643 -0.287 -1.186 0.00 0.00 -0.274 N ATOM 33 C LIG 1 8.651 -0.703 -2.131 0.00 0.00 +0.172 C ATOM 34 N LIG 1 8.000 0.444 -0.116 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 6.853 0.603 0.551 0.00 0.00 +0.144 A ENDBRANCH 5 30 BRANCH 6 36 ATOM 36 C LIG 1 3.479 0.715 -1.982 0.00 0.00 +0.374 C ATOM 37 F LIG 1 3.749 -0.326 -2.820 0.00 0.00 -0.204 F ATOM 38 F LIG 1 2.366 1.310 -2.507 0.00 0.00 -0.204 F ENDBRANCH 6 36 TORSDOF 4