REMARK Name = BDB006184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.820 0.595 -0.650 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.337 1.860 -0.053 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -0.417 2.484 0.821 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.491 3.562 1.386 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.719 1.588 0.830 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.923 1.626 1.378 0.00 0.00 -0.161 NA ATOM 7 N LIG 1 2.492 0.440 0.993 0.00 0.00 -0.233 N ATOM 8 C LIG 1 1.728 -0.180 -0.023 0.00 0.00 +0.054 A ATOM 9 C LIG 1 0.522 0.495 -0.006 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.981 -1.375 -2.662 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.163 -1.537 -1.176 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -1.623 -0.630 -0.229 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -1.890 -0.866 1.142 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.648 -1.959 1.565 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.167 -2.837 0.626 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.108 -4.183 1.137 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.935 -2.629 -0.731 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -2.634 2.367 -0.337 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -3.388 3.052 0.630 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -2.942 3.144 1.893 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -4.659 3.549 0.331 0.00 0.00 +0.078 A ATOM 22 CL LIG 1 -5.588 4.369 1.529 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -5.203 3.365 -0.938 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -4.478 2.671 -1.903 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -3.206 2.171 -1.603 0.00 0.00 +0.026 A ENDBRANCH 2 18 BRANCH 7 26 ATOM 26 C LIG 1 3.717 0.062 1.611 0.00 0.00 +0.101 A ATOM 27 C LIG 1 4.106 -1.271 1.753 0.00 0.00 +0.151 A ATOM 28 F LIG 1 3.309 -2.280 1.383 0.00 0.00 -0.203 F ATOM 29 C LIG 1 5.309 -1.606 2.371 0.00 0.00 +0.078 A ATOM 30 C LIG 1 6.122 -0.599 2.872 0.00 0.00 +0.126 A ATOM 31 F LIG 1 7.277 -0.919 3.469 0.00 0.00 -0.205 F ATOM 32 C LIG 1 5.744 0.734 2.780 0.00 0.00 +0.040 A ATOM 33 C LIG 1 4.537 1.067 2.160 0.00 0.00 +0.033 A ENDBRANCH 7 26 BRANCH 8 34 ATOM 34 C LIG 1 2.252 -1.234 -0.963 0.00 0.00 +0.032 C ATOM 35 C LIG 1 1.467 -2.540 -0.870 0.00 0.00 +0.014 C ATOM 36 C LIG 1 2.267 -0.714 -2.405 0.00 0.00 +0.014 C ENDBRANCH 8 34 TORSDOF 4