REMARK Name = BDB037847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.300 2.641 0.126 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.747 1.893 0.673 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.677 0.550 0.978 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.849 0.260 1.713 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.599 1.366 1.853 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.480 -0.307 0.622 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.736 0.565 0.442 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.054 2.258 0.984 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.481 1.952 -0.207 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.362 2.468 -0.905 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.028 -1.096 -0.604 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.080 -2.498 -0.499 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.500 -3.269 -1.583 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.802 -2.649 -2.787 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.202 -3.385 -3.829 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.691 -1.270 -2.926 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.276 -0.495 -1.842 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.908 3.233 0.399 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.727 3.646 -0.928 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.601 4.581 -1.490 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.664 5.092 -0.741 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.868 4.654 0.566 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.002 3.716 1.133 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.829 -0.098 -0.274 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.291 0.455 -0.994 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.483 -1.175 0.272 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.171 -1.667 1.353 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.636 -1.712 -0.499 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.655 -2.374 0.199 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.762 -2.915 -0.486 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.829 -2.778 -1.881 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.806 -2.131 -2.579 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.709 -1.601 -1.893 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.850 -3.624 0.282 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.372 -4.633 1.063 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.521 -2.788 1.121 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.800 -4.190 -0.516 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.203 -1.014 2.347 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -3.321 -1.703 1.842 0.00 0.00 -0.280 N ATOM 40 O LIG 1 -1.508 -1.476 3.254 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -3.853 -1.473 0.515 0.00 0.00 +0.078 C ATOM 42 C LIG 1 -4.667 -0.264 0.142 0.00 0.00 +0.024 C ATOM 43 C LIG 1 -5.331 -1.601 0.230 0.00 0.00 +0.024 C ENDBRANCH 39 41 BRANCH 39 44 ATOM 44 C LIG 1 -3.563 -3.029 2.429 0.00 0.00 +0.227 C BRANCH 44 45 ATOM 45 C LIG 1 -2.664 -4.065 1.889 0.00 0.00 +0.082 C ATOM 46 N LIG 1 -1.978 -4.886 1.432 0.00 0.00 -0.195 NA ENDBRANCH 44 45 ENDBRANCH 39 44 ENDBRANCH 4 38 BRANCH 1 48 ATOM 47 C LIG 1 1.191 4.719 1.144 0.00 0.00 +0.025 C ATOM 48 C LIG 1 0.352 4.102 0.026 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 10