REMARK Name = BDB037564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.572 -1.788 0.507 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.425 -0.674 0.495 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.998 0.623 0.273 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.166 1.423 0.168 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.253 0.659 0.362 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.440 0.992 0.172 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.285 -0.102 0.848 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.786 -0.572 0.684 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.819 -1.526 0.448 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.639 -2.395 0.131 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.726 1.260 -1.303 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.128 2.557 -1.684 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.421 2.859 -3.015 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.316 1.868 -3.979 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.594 2.156 -5.257 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.924 0.582 -3.637 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.630 0.278 -2.305 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.740 -1.438 1.372 0.00 0.00 +0.114 C ATOM 19 C LIG 1 -4.391 -2.482 0.458 0.00 0.00 +0.055 C ATOM 20 C LIG 1 -4.809 -3.715 1.246 0.00 0.00 +0.162 C ATOM 21 O LIG 1 -5.331 -3.315 2.506 0.00 0.00 -0.380 OA ATOM 22 C LIG 1 -4.336 -2.811 3.397 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -3.239 -2.007 2.702 0.00 0.00 +0.055 C ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -2.220 2.888 -0.045 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -3.329 3.464 -0.681 0.00 0.00 -0.286 N ATOM 26 C LIG 1 -4.478 2.716 -1.172 0.00 0.00 +0.133 C ATOM 27 O LIG 1 -1.286 3.596 0.337 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.480 4.914 -0.570 0.00 0.00 +0.226 C BRANCH 28 29 ATOM 29 C LIG 1 -4.273 5.312 0.608 0.00 0.00 +0.082 C ATOM 30 N LIG 1 -4.920 5.630 1.519 0.00 0.00 -0.195 NA ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 31 ATOM 31 N LIG 1 2.720 0.060 0.591 0.00 0.00 -0.299 N ATOM 32 H LIG 1 3.017 -0.182 -0.348 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 3.639 -0.132 1.600 0.00 0.00 +0.245 C ATOM 34 O LIG 1 3.331 -0.264 2.779 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 5.069 -0.195 1.185 0.00 0.00 +0.037 A ATOM 36 C LIG 1 5.537 0.455 0.033 0.00 0.00 +0.025 A ATOM 37 C LIG 1 6.893 0.375 -0.329 0.00 0.00 +0.056 A ATOM 38 C LIG 1 7.776 -0.346 0.491 0.00 0.00 +0.012 A ATOM 39 C LIG 1 7.315 -0.980 1.645 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.966 -0.902 1.993 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 7.397 1.092 -1.558 0.00 0.00 +0.417 C ATOM 42 F LIG 1 6.475 1.132 -2.560 0.00 0.00 -0.166 F ATOM 43 F LIG 1 7.727 2.387 -1.301 0.00 0.00 -0.166 F ATOM 44 F LIG 1 8.508 0.519 -2.097 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 7 31 BRANCH 1 46 ATOM 45 C LIG 1 -1.063 -3.400 -1.315 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -0.969 -3.157 0.186 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9