REMARK Name = BDB026052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.232 -0.152 -0.907 0.00 0.00 +0.022 A ATOM 2 C LIG 1 -0.672 0.352 -1.843 0.00 0.00 +0.133 A ATOM 3 F LIG 1 -0.235 0.793 -3.033 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.041 0.442 -1.581 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.594 0.021 -0.361 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.699 -0.577 0.561 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.311 -0.601 0.306 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.933 0.293 -0.037 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.965 0.415 -1.095 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.612 1.832 -1.187 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.651 2.830 -1.853 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -6.199 2.285 0.099 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.514 3.702 0.162 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.561 1.678 1.291 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.685 2.478 2.596 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.076 1.274 1.073 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 4.400 -0.358 -1.653 0.00 0.00 +0.218 A ATOM 18 N LIG 1 3.786 -1.404 -1.076 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 2.455 -1.317 -0.858 0.00 0.00 +0.124 A ATOM 20 C LIG 1 1.673 -0.226 -1.176 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.396 0.786 -1.772 0.00 0.00 +0.124 A ATOM 22 N LIG 1 3.727 0.746 -2.013 0.00 0.00 -0.222 NA BRANCH 17 26 ATOM 23 N LIG 1 7.393 0.643 0.320 0.00 0.00 -0.297 NA ATOM 24 C LIG 1 6.724 1.506 -0.679 0.00 0.00 +0.103 C ATOM 25 C LIG 1 6.444 0.864 -2.059 0.00 0.00 +0.123 C ATOM 26 N LIG 1 5.769 -0.433 -1.909 0.00 0.00 -0.297 N ATOM 27 C LIG 1 6.511 -1.357 -1.040 0.00 0.00 +0.123 C ATOM 28 C LIG 1 6.805 -0.714 0.341 0.00 0.00 +0.103 C BRANCH 23 30 ATOM 29 C LIG 1 9.369 0.451 1.753 0.00 0.00 +0.024 C ATOM 30 C LIG 1 8.859 0.739 0.333 0.00 0.00 +0.051 C ATOM 31 C LIG 1 9.618 -0.130 -0.670 0.00 0.00 +0.024 C ENDBRANCH 23 30 ENDBRANCH 17 26 ENDBRANCH 1 20 BRANCH 6 32 ATOM 32 N LIG 1 -2.075 -1.183 1.778 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -1.382 -1.197 2.518 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -3.190 -1.898 2.142 0.00 0.00 +0.249 C ATOM 35 O LIG 1 -3.389 -2.143 3.333 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -4.118 -2.495 1.157 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -3.713 -3.366 0.130 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -4.700 -3.884 -0.735 0.00 0.00 +0.051 A ATOM 39 C LIG 1 -6.045 -3.595 -0.532 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -6.961 -4.110 -1.361 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -6.451 -2.801 0.529 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -5.489 -2.258 1.379 0.00 0.00 +0.016 A BRANCH 37 43 ATOM 43 C LIG 1 -2.291 -3.815 -0.070 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -1.638 -3.094 -1.022 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.511 -3.777 1.043 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.221 -5.111 -0.500 0.00 0.00 -0.166 F ENDBRANCH 37 43 ENDBRANCH 34 36 ENDBRANCH 6 32 TORSDOF 7