REMARK Name = BDB026770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.949 0.445 2.830 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 0.753 0.564 1.617 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -0.234 -0.154 0.911 0.00 0.00 -0.259 N ATOM 4 C LIG 1 -0.199 -0.057 -0.570 0.00 0.00 +0.145 C ATOM 5 C LIG 1 0.065 1.407 -1.042 0.00 0.00 +0.174 C ATOM 6 O LIG 1 1.386 1.770 -0.603 0.00 0.00 -0.357 OA ATOM 7 C LIG 1 1.551 1.630 0.806 0.00 0.00 +0.209 C ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -0.895 -1.252 1.554 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -2.265 -1.454 1.389 0.00 0.00 +0.063 A ATOM 10 C LIG 1 -2.849 -2.537 2.022 0.00 0.00 +0.131 A ATOM 11 CL LIG 1 -4.527 -2.850 1.848 0.00 0.00 -0.062 Cl ATOM 12 N LIG 1 -2.193 -3.411 2.807 0.00 0.00 -0.243 NA ATOM 13 C LIG 1 -0.878 -3.180 2.979 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -0.195 -2.131 2.384 0.00 0.00 +0.043 A ENDBRANCH 3 8 BRANCH 4 15 ATOM 15 C LIG 1 -1.232 -0.831 -1.389 0.00 0.00 -0.024 A ATOM 16 C LIG 1 -2.391 -0.250 -1.927 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.303 -1.014 -2.665 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.067 -2.369 -2.878 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.192 -3.303 -3.782 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -1.923 -2.968 -2.363 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.012 -2.205 -1.629 0.00 0.00 +0.007 A ENDBRANCH 4 15 BRANCH 5 22 ATOM 22 C LIG 1 -0.880 2.558 -0.719 0.00 0.00 -0.017 A ATOM 23 C LIG 1 -1.868 2.516 0.276 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.688 3.624 0.520 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.526 4.790 -0.222 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -3.536 6.147 0.083 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.547 4.860 -1.206 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.729 3.754 -1.449 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 7 29 ATOM 29 C LIG 1 3.056 1.483 1.101 0.00 0.00 +0.076 C BRANCH 29 30 ATOM 30 C LIG 1 3.623 0.150 0.651 0.00 0.00 -0.044 A ATOM 31 C LIG 1 3.953 -0.064 -0.697 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.443 -1.302 -1.114 0.00 0.00 +0.038 A ATOM 33 C LIG 1 4.605 -2.323 -0.187 0.00 0.00 +0.123 A ATOM 34 F LIG 1 5.071 -3.513 -0.590 0.00 0.00 -0.205 F ATOM 35 C LIG 1 4.289 -2.130 1.152 0.00 0.00 +0.038 A ATOM 36 C LIG 1 3.799 -0.893 1.573 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5