REMARK Name = BDB005856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.913 0.264 -0.374 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -1.639 -0.920 -0.327 0.00 0.00 +0.095 A ATOM 3 C LIG 1 -2.851 -0.541 0.240 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -3.825 -1.485 0.562 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -3.507 -2.798 0.273 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -2.357 -3.174 -0.331 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -2.933 0.814 0.376 0.00 0.00 -0.229 NA ATOM 8 C LIG 1 -1.411 -2.259 -0.676 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.774 1.300 -0.033 0.00 0.00 +0.146 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.440 -3.906 0.594 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.531 -3.711 1.354 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -5.863 -2.890 1.826 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.138 -4.902 1.472 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.154 -5.117 2.114 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.426 -5.830 0.761 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.309 -5.133 0.203 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.272 -2.787 -1.410 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.559 -3.772 -0.857 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.643 -4.257 -1.583 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 2.690 -5.436 -0.908 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.863 -3.754 -2.855 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.075 -2.821 -3.440 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.018 -2.383 -2.713 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 0.490 0.402 -0.740 0.00 0.00 +0.127 C BRANCH 24 29 ATOM 25 C LIG 1 5.284 -0.235 1.967 0.00 0.00 +0.007 C ATOM 26 C LIG 1 4.055 0.598 1.600 0.00 0.00 -0.014 C ATOM 27 C LIG 1 2.815 0.068 2.341 0.00 0.00 +0.003 C ATOM 28 C LIG 1 1.536 0.419 1.590 0.00 0.00 +0.005 C ATOM 29 C LIG 1 1.482 -0.287 0.224 0.00 0.00 +0.009 C ATOM 30 C LIG 1 2.880 -0.412 -0.419 0.00 0.00 +0.005 C ATOM 31 C LIG 1 3.849 0.658 0.075 0.00 0.00 +0.003 C ENDBRANCH 24 29 ENDBRANCH 1 24 BRANCH 9 32 ATOM 32 C LIG 1 -1.513 2.780 -0.217 0.00 0.00 +0.232 C BRANCH 32 33 ATOM 33 C LIG 1 -0.507 3.384 0.760 0.00 0.00 +0.077 A ATOM 34 N LIG 1 -0.708 3.157 2.086 0.00 0.00 -0.257 NA ATOM 35 C LIG 1 0.142 3.731 2.967 0.00 0.00 +0.111 A ATOM 36 C LIG 1 1.202 4.537 2.596 0.00 0.00 +0.020 A ATOM 37 C LIG 1 1.399 4.776 1.243 0.00 0.00 +0.003 A ATOM 38 C LIG 1 0.533 4.202 0.313 0.00 0.00 +0.026 A ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 O LIG 1 -1.123 2.963 -1.591 0.00 0.00 -0.354 OA BRANCH 39 40 ATOM 40 C LIG 1 -2.255 3.140 -2.462 0.00 0.00 +0.274 C BRANCH 40 41 ATOM 41 C LIG 1 -1.835 3.160 -3.926 0.00 0.00 +0.413 C ATOM 42 F LIG 1 -0.975 4.169 -4.182 0.00 0.00 -0.168 F ATOM 43 F LIG 1 -2.912 3.327 -4.728 0.00 0.00 -0.168 F ATOM 44 F LIG 1 -1.238 2.000 -4.281 0.00 0.00 -0.168 F ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 9