REMARK Name = BDB062109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.078 -0.821 -0.417 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.933 0.216 -0.086 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -2.167 -0.342 0.213 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.979 -1.709 0.046 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -3.041 -2.598 0.270 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.286 -2.086 0.660 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.455 -0.705 0.824 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.403 0.194 0.602 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.698 -1.982 -0.338 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.388 -2.991 0.906 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.602 -2.957 0.254 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.191 -2.115 -0.806 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.393 -3.955 0.730 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -6.710 -4.673 1.692 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.506 -4.095 1.792 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -4.507 -4.624 2.749 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 C LIG 1 -0.659 1.651 -0.053 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.438 2.251 -1.450 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -0.216 3.762 -1.385 0.00 0.00 +0.014 C ATOM 20 C LIG 1 0.918 4.135 -0.419 0.00 0.00 +0.093 C ATOM 21 C LIG 1 0.642 3.564 0.980 0.00 0.00 +0.014 C ATOM 22 C LIG 1 0.440 2.049 0.944 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 1.105 5.646 -0.359 0.00 0.00 +0.393 C ATOM 24 F LIG 1 -0.005 6.263 0.098 0.00 0.00 -0.170 F ATOM 25 F LIG 1 2.128 5.972 0.461 0.00 0.00 -0.170 F ATOM 26 F LIG 1 1.386 6.147 -1.581 0.00 0.00 -0.170 F ENDBRANCH 20 23 ENDBRANCH 2 17 BRANCH 1 27 ATOM 27 C LIG 1 1.360 -0.704 -0.813 0.00 0.00 +0.079 C BRANCH 27 28 ATOM 28 C LIG 1 2.273 -1.286 0.271 0.00 0.00 +0.043 C BRANCH 28 33 ATOM 29 C LIG 1 6.452 -0.629 -0.688 0.00 0.00 +0.138 A ATOM 30 C LIG 1 5.725 -1.658 -1.308 0.00 0.00 +0.083 A ATOM 31 CL LIG 1 6.456 -2.697 -2.483 0.00 0.00 -0.080 Cl ATOM 32 C LIG 1 4.379 -1.875 -0.993 0.00 0.00 +0.027 A ATOM 33 C LIG 1 3.732 -1.066 -0.052 0.00 0.00 -0.045 A ATOM 34 C LIG 1 4.453 -0.037 0.564 0.00 0.00 +0.007 A ATOM 35 C LIG 1 5.801 0.178 0.250 0.00 0.00 +0.047 A BRANCH 29 37 ATOM 36 C LIG 1 8.532 0.512 -0.402 0.00 0.00 +0.277 C ATOM 37 O LIG 1 7.763 -0.487 -1.058 0.00 0.00 -0.494 OA ENDBRANCH 29 37 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 7