REMARK Name = BDB037476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.213 2.450 -0.477 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.821 1.575 -0.841 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.742 0.200 -0.770 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.074 -0.271 -0.923 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.916 0.769 -1.078 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.535 -0.519 -0.502 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.720 0.437 -0.773 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.111 1.848 -1.279 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.470 1.864 -0.219 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.370 2.467 0.378 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.521 -1.680 -0.918 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.828 -1.966 -0.547 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.317 -3.344 -0.579 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -5.707 -3.257 0.064 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -5.587 -2.067 1.004 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -4.712 -1.101 0.218 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -1.750 -2.587 -1.235 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -4.413 -3.912 -1.940 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -4.534 -4.371 -3.000 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.437 -1.072 0.917 0.00 0.00 -0.037 A ATOM 21 C LIG 1 0.532 -2.466 1.099 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.463 -3.033 2.373 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.303 -2.211 3.478 0.00 0.00 +0.123 A ATOM 24 F LIG 1 0.234 -2.752 4.701 0.00 0.00 -0.205 F ATOM 25 C LIG 1 0.213 -0.833 3.333 0.00 0.00 +0.038 A ATOM 26 C LIG 1 0.281 -0.264 2.059 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.621 2.962 -2.002 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -1.770 3.789 -2.748 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -2.298 4.857 -3.479 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -3.672 5.092 -3.485 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.526 4.253 -2.771 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -4.006 3.183 -2.039 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 3.007 -0.046 -0.268 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.383 0.441 0.537 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.618 -1.161 -0.786 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.125 -1.825 -1.691 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.915 -1.563 -0.175 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.770 -0.641 0.446 0.00 0.00 +0.025 A ATOM 39 C LIG 1 6.987 -1.065 1.010 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.343 -2.420 0.926 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.500 -3.337 0.296 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.293 -2.909 -0.255 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.909 -0.062 1.660 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.848 -0.630 2.467 0.00 0.00 -0.166 F ATOM 45 F LIG 1 7.242 0.834 2.439 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.596 0.676 0.746 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.357 3.779 1.544 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.011 3.798 0.060 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8