REMARK Name = BDB050424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.832 -0.389 1.974 0.00 0.00 +0.067 C ATOM 2 C LIG 1 0.317 0.486 1.610 0.00 0.00 +0.060 A ATOM 3 N LIG 1 0.190 1.676 0.911 0.00 0.00 -0.336 N ATOM 4 C LIG 1 1.427 2.296 0.795 0.00 0.00 +0.057 A ATOM 5 C LIG 1 2.368 1.452 1.386 0.00 0.00 +0.043 A ATOM 6 C LIG 1 3.722 1.840 1.399 0.00 0.00 +0.017 A ATOM 7 C LIG 1 4.107 3.059 0.826 0.00 0.00 +0.047 A ATOM 8 C LIG 1 3.161 3.896 0.239 0.00 0.00 +0.132 A ATOM 9 C LIG 1 1.809 3.521 0.217 0.00 0.00 +0.072 A ATOM 10 C LIG 1 1.667 0.315 1.850 0.00 0.00 +0.156 A ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.062 2.222 0.388 0.00 0.00 +0.157 C BRANCH 11 12 ATOM 12 C LIG 1 -1.510 1.506 -0.864 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -2.705 0.772 -0.871 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -3.115 0.088 -2.018 0.00 0.00 +0.140 A ATOM 15 C LIG 1 -2.365 0.180 -3.195 0.00 0.00 +0.083 A ATOM 16 CL LIG 1 -2.868 -0.579 -4.660 0.00 0.00 -0.080 Cl ATOM 17 C LIG 1 -1.180 0.916 -3.203 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -0.752 1.571 -2.044 0.00 0.00 +0.007 A BRANCH 14 19 ATOM 19 O LIG 1 -4.301 -0.593 -1.940 0.00 0.00 -0.476 OA BRANCH 19 20 ATOM 20 C LIG 1 -4.112 -2.014 -1.858 0.00 0.00 +0.278 C ATOM 21 C LIG 1 -4.337 -2.448 -0.413 0.00 0.00 +0.064 C BRANCH 20 22 ATOM 22 C LIG 1 -5.132 -2.707 -2.758 0.00 0.00 +0.346 C ATOM 23 O LIG 1 -6.067 -2.203 -3.357 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.910 -4.037 -2.864 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 -5.613 -4.336 -3.478 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 8 26 ATOM 26 O LIG 1 3.407 5.104 -0.353 0.00 0.00 -0.406 OA BRANCH 26 27 ATOM 27 C LIG 1 4.747 5.564 -0.390 0.00 0.00 +0.575 C ATOM 28 F LIG 1 5.537 4.713 -1.080 0.00 0.00 -0.133 F ATOM 29 F LIG 1 4.775 6.762 -1.015 0.00 0.00 -0.133 F ATOM 30 F LIG 1 5.242 5.731 0.855 0.00 0.00 -0.133 F ENDBRANCH 26 27 ENDBRANCH 8 26 BRANCH 10 31 ATOM 31 O LIG 1 2.225 -0.736 2.492 0.00 0.00 -0.454 OA BRANCH 31 32 ATOM 32 C LIG 1 2.088 -2.016 2.005 0.00 0.00 +0.129 A ATOM 33 C LIG 1 1.958 -2.314 0.645 0.00 0.00 +0.048 A ATOM 34 C LIG 1 1.843 -3.644 0.232 0.00 0.00 +0.023 A ATOM 35 C LIG 1 1.871 -4.668 1.178 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 1.726 -6.305 0.668 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 2.018 -4.376 2.534 0.00 0.00 +0.023 A ATOM 38 C LIG 1 2.134 -3.047 2.946 0.00 0.00 +0.048 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 10