REMARK Name = BDB024025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.793 -1.253 0.960 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.710 -1.123 0.078 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.434 -0.764 0.539 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.258 -0.558 1.904 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.950 -0.224 2.376 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.312 -0.696 2.800 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.578 -1.045 2.330 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 0.902 -0.585 -0.594 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.669 1.032 -0.406 0.00 0.00 +0.093 C ATOM 10 C LIG 1 2.982 1.069 -1.172 0.00 0.00 +0.114 C ATOM 11 N LIG 1 3.891 0.051 -0.602 0.00 0.00 -0.314 N ATOM 12 C LIG 1 3.494 -1.336 -0.934 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.247 -1.691 -0.142 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.516 -0.804 -2.040 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.213 0.265 -1.060 0.00 0.00 +0.133 A ATOM 16 C LIG 1 6.277 0.175 -0.162 0.00 0.00 +0.095 A ATOM 17 C LIG 1 7.579 0.370 -0.652 0.00 0.00 +0.017 A ATOM 18 C LIG 1 7.782 0.645 -1.997 0.00 0.00 +0.020 A ATOM 19 C LIG 1 6.672 0.719 -2.812 0.00 0.00 +0.113 A ATOM 20 N LIG 1 5.408 0.536 -2.373 0.00 0.00 -0.240 NA BRANCH 16 21 ATOM 21 C LIG 1 6.034 -0.101 1.290 0.00 0.00 +0.421 C ATOM 22 F LIG 1 5.267 0.840 1.910 0.00 0.00 -0.166 F ATOM 23 F LIG 1 7.193 -0.142 2.017 0.00 0.00 -0.166 F ATOM 24 F LIG 1 5.435 -1.304 1.526 0.00 0.00 -0.166 F ENDBRANCH 16 21 ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -4.160 -1.642 0.444 0.00 0.00 +0.093 C BRANCH 25 33 ATOM 26 O LIG 1 -8.138 1.859 2.049 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -7.247 1.121 1.643 0.00 0.00 +0.272 A ATOM 28 C LIG 1 -6.411 1.490 0.489 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.410 0.616 0.066 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.621 0.963 -1.036 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -4.835 2.177 -1.698 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.835 3.047 -1.268 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.249 -0.649 0.830 0.00 0.00 +0.074 A ATOM 34 N LIG 1 -6.000 -0.961 1.847 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -6.626 2.705 -0.173 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -6.971 -0.090 2.227 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.540 -0.362 3.022 0.00 0.00 +0.192 HD ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 5