REMARK Name = BDB065272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.645 0.410 0.786 0.00 0.00 +0.132 A ATOM 2 N LIG 1 -0.560 1.020 0.439 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.431 0.014 0.030 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -0.778 -1.163 0.353 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -1.383 -2.402 0.105 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.650 -2.427 -0.496 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -3.299 -1.226 -0.811 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -2.708 0.018 -0.550 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.441 -0.895 0.889 0.00 0.00 -0.230 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 3.158 0.205 1.228 0.00 0.00 -0.259 N ATOM 11 C LIG 1 1.964 1.061 1.132 0.00 0.00 +0.151 C ATOM 12 C LIG 1 2.472 2.205 0.287 0.00 0.00 +0.077 C ATOM 13 C LIG 1 3.840 2.444 0.911 0.00 0.00 +0.254 C ATOM 14 F LIG 1 4.615 3.124 0.027 0.00 0.00 -0.236 F ATOM 15 C LIG 1 4.310 1.038 1.214 0.00 0.00 +0.255 C ATOM 16 O LIG 1 5.477 0.705 1.362 0.00 0.00 -0.272 OA BRANCH 10 21 ATOM 17 C LIG 1 3.743 -3.683 -0.326 0.00 0.00 +0.138 A ATOM 18 C LIG 1 2.978 -2.765 -1.049 0.00 0.00 +0.084 A ATOM 19 CL LIG 1 2.244 -3.192 -2.553 0.00 0.00 -0.080 Cl ATOM 20 C LIG 1 2.786 -1.472 -0.556 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.337 -1.093 0.675 0.00 0.00 +0.039 A ATOM 22 C LIG 1 4.150 -2.006 1.362 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.355 -3.295 0.865 0.00 0.00 +0.049 A BRANCH 17 25 ATOM 24 C LIG 1 3.061 -5.869 -0.195 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.970 -4.949 -0.801 0.00 0.00 -0.494 OA ENDBRANCH 17 25 ENDBRANCH 10 21 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 C LIG 1 -3.284 -3.693 -0.795 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -2.738 -4.679 -1.588 0.00 0.00 +0.142 A ATOM 28 C LIG 1 -1.478 -4.832 -2.342 0.00 0.00 +0.090 C ATOM 29 O LIG 1 -3.608 -5.723 -1.665 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 -4.744 -5.437 -0.933 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 -4.545 -4.220 -0.411 0.00 0.00 +0.088 A ATOM 32 C LIG 1 -5.581 -3.607 0.453 0.00 0.00 +0.070 C ENDBRANCH 6 26 BRANCH 2 33 ATOM 33 C LIG 1 -0.998 2.413 0.528 0.00 0.00 +0.089 C ATOM 34 C LIG 1 -0.750 3.197 -0.768 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -1.289 4.623 -0.686 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -0.799 5.365 0.562 0.00 0.00 +0.118 C ATOM 37 C LIG 1 -1.152 4.574 1.827 0.00 0.00 +0.033 C ATOM 38 C LIG 1 -0.577 3.162 1.801 0.00 0.00 +0.027 C BRANCH 36 39 ATOM 39 O LIG 1 -1.435 6.637 0.681 0.00 0.00 -0.380 OA ATOM 40 C LIG 1 -0.901 7.629 -0.186 0.00 0.00 +0.194 C ENDBRANCH 36 39 ENDBRANCH 2 33 TORSDOF 6