REMARK Name = BDB019862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.050 0.462 0.748 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -2.532 -0.487 1.661 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -1.876 -1.717 1.862 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -0.699 -1.971 1.138 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.218 -1.047 0.200 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.893 0.163 0.014 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.407 -2.687 2.830 0.00 0.00 +0.083 A ATOM 8 C LIG 1 -2.868 -3.964 2.497 0.00 0.00 +0.083 A ATOM 9 C LIG 1 -3.334 -4.790 3.535 0.00 0.00 +0.054 A ATOM 10 C LIG 1 -3.340 -4.322 4.837 0.00 0.00 +0.142 A ATOM 11 F LIG 1 -3.788 -5.093 5.833 0.00 0.00 -0.204 F ATOM 12 C LIG 1 -2.890 -3.043 5.081 0.00 0.00 +0.149 A ATOM 13 N LIG 1 -2.433 -2.219 4.111 0.00 0.00 -0.252 NA BRANCH 8 14 ATOM 14 C LIG 1 -2.882 -4.460 1.081 0.00 0.00 +0.419 C ATOM 15 F LIG 1 -3.395 -3.566 0.192 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.644 -4.788 0.626 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -3.635 -5.590 0.924 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 5 18 ATOM 18 C LIG 1 1.037 -1.354 -0.538 0.00 0.00 +0.245 C ATOM 19 N LIG 1 1.170 -0.768 -1.777 0.00 0.00 -0.304 N ATOM 20 H LIG 1 0.422 -0.210 -2.163 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 1.874 -2.099 -0.041 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 2.423 -0.773 -2.504 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 3.287 0.426 -2.130 0.00 0.00 -0.025 A ATOM 24 C LIG 1 2.737 1.688 -1.836 0.00 0.00 +0.027 A ATOM 25 C LIG 1 3.557 2.772 -1.501 0.00 0.00 +0.060 A ATOM 26 CL LIG 1 2.787 4.281 -1.154 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 4.944 2.609 -1.454 0.00 0.00 +0.059 A ATOM 28 CL LIG 1 6.016 3.897 -1.033 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 5.505 1.364 -1.745 0.00 0.00 +0.022 A ATOM 30 C LIG 1 4.684 0.283 -2.079 0.00 0.00 +0.007 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 2.101 -0.882 -3.977 0.00 0.00 +0.014 C ATOM 32 C LIG 1 2.902 -0.236 -5.085 0.00 0.00 +0.006 C ATOM 33 C LIG 1 1.511 0.252 -4.786 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 5 18 BRANCH 1 34 ATOM 34 C LIG 1 -2.755 1.782 0.536 0.00 0.00 +0.144 C BRANCH 34 38 ATOM 35 N LIG 1 -1.190 3.465 -1.411 0.00 0.00 -0.253 NA ATOM 36 H LIG 1 -0.632 4.255 -1.761 0.00 0.00 +0.191 HD ATOM 37 C LIG 1 -1.249 3.632 -0.144 0.00 0.00 +0.278 C ATOM 38 N LIG 1 -1.862 2.882 0.799 0.00 0.00 -0.278 N ATOM 39 C LIG 1 -1.763 3.484 2.100 0.00 0.00 +0.151 C ATOM 40 C LIG 1 -0.696 4.542 1.846 0.00 0.00 +0.251 C ATOM 41 O LIG 1 -0.623 4.697 0.417 0.00 0.00 -0.464 OA ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8