REMARK Name = BDB027005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.597 -1.482 -0.551 0.00 0.00 +0.186 C ATOM 2 O LIG 1 0.503 -1.443 -1.781 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -4.320 0.772 -0.397 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -3.798 0.441 0.862 0.00 0.00 +0.155 A ATOM 5 F LIG 1 -4.488 0.662 1.993 0.00 0.00 -0.203 F ATOM 6 C LIG 1 -2.533 -0.149 0.948 0.00 0.00 +0.083 A ATOM 7 C LIG 1 -1.754 -0.428 -0.173 0.00 0.00 +0.013 A ATOM 8 C LIG 1 -0.528 -1.024 0.285 0.00 0.00 +0.044 A ATOM 9 C LIG 1 -0.620 -1.083 1.667 0.00 0.00 +0.095 A ATOM 10 C LIG 1 -2.282 -0.095 -1.439 0.00 0.00 +0.011 A ATOM 11 N LIG 1 -1.829 -0.563 2.050 0.00 0.00 -0.358 N ATOM 12 H LIG 1 -2.171 -0.493 3.000 0.00 0.00 +0.165 HD ATOM 13 C LIG 1 -3.552 0.497 -1.536 0.00 0.00 +0.012 A BRANCH 3 18 ATOM 14 C LIG 1 -8.424 3.457 0.403 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -7.435 2.583 -0.179 0.00 0.00 -0.274 N ATOM 16 N LIG 1 -7.671 2.022 -1.379 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -6.575 1.292 -1.601 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -5.632 1.381 -0.548 0.00 0.00 +0.022 A ATOM 19 C LIG 1 -6.228 2.238 0.354 0.00 0.00 +0.116 A ENDBRANCH 3 18 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 1.882 -2.005 0.161 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 1.732 -3.470 0.553 0.00 0.00 -0.023 A ATOM 22 C LIG 1 1.389 -4.442 -0.401 0.00 0.00 +0.005 A ATOM 23 C LIG 1 1.260 -5.783 -0.036 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.482 -6.171 1.283 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.839 -5.221 2.238 0.00 0.00 +0.000 A ATOM 26 C LIG 1 1.968 -3.879 1.876 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 3.096 -1.851 -0.680 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 3.870 -2.347 -0.241 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.473 -0.462 -0.954 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 4.099 0.264 0.247 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 4.549 1.659 -0.113 0.00 0.00 -0.046 A ATOM 32 C LIG 1 3.635 2.722 -0.107 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.046 4.011 -0.455 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.375 4.250 -0.817 0.00 0.00 +0.052 A ATOM 35 C LIG 1 6.290 3.193 -0.831 0.00 0.00 +0.019 A ATOM 36 C LIG 1 5.878 1.904 -0.484 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 5.798 5.573 -1.172 0.00 0.00 +0.099 C ATOM 38 N LIG 1 6.142 6.645 -1.456 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9