REMARK Name = BDB026292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.320 -0.622 -0.918 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.641 0.534 -0.452 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.739 0.510 -0.206 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.497 -0.654 -0.420 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.812 -1.779 -0.900 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.474 -2.926 -1.121 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.562 -1.770 -1.149 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.720 -2.298 1.718 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.971 -2.182 0.386 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.742 -2.740 -0.763 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.047 -2.103 -0.950 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.874 -2.664 -1.972 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.536 -3.244 -3.228 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.308 -1.245 -2.274 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.717 -0.564 -1.099 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.485 -0.724 0.165 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.944 -0.677 -0.158 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.533 -0.070 0.933 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.859 -0.071 1.197 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.670 -0.710 0.339 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.200 -1.331 -0.754 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.865 -1.303 -0.973 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.047 -0.698 0.571 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.410 -0.477 1.979 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.938 -0.395 2.121 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.585 -1.555 1.574 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.276 -1.670 0.175 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.765 -1.814 -0.062 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.430 1.696 -0.309 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.388 1.551 -0.618 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.078 2.903 0.244 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -0.018 3.201 0.777 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.150 3.930 0.196 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -2.498 4.651 1.354 0.00 0.00 +0.032 A ATOM 35 C LIG 1 -3.493 5.638 1.255 0.00 0.00 +0.048 A ATOM 36 C LIG 1 -4.114 5.890 0.036 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -5.062 6.832 -0.038 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -3.768 5.179 -1.107 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.781 4.197 -1.032 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -1.851 4.356 2.683 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.023 3.056 3.054 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -2.392 5.088 3.702 0.00 0.00 -0.204 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6