REMARK Name = BDB057470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.520 -0.327 -0.827 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.178 -1.309 -1.953 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -0.690 -2.425 -1.847 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.478 -0.826 -3.182 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.251 -1.557 -3.791 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.980 -0.104 -0.699 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.166 0.846 -0.348 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.885 -1.004 -0.125 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.146 -0.543 0.331 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.099 -1.421 0.875 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.838 -2.786 0.922 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.632 -3.269 0.426 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.677 -2.389 -0.100 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.463 0.909 0.292 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.621 1.717 0.681 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.771 1.396 -0.218 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.287 2.593 0.295 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.509 3.084 -0.169 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.211 2.388 -1.153 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.691 1.205 -1.680 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.469 0.709 -1.219 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -0.862 -0.688 0.517 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.367 0.239 0.590 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.417 1.233 0.836 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.053 0.936 0.822 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.617 -0.366 0.554 0.00 0.00 -0.045 A ATOM 27 C LIG 1 1.570 -1.359 0.299 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.937 -1.059 0.318 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.666 0.665 0.634 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 5.678 -0.342 0.548 0.00 0.00 +0.268 C BRANCH 30 32 ATOM 31 C LIG 1 8.156 -0.088 -0.006 0.00 0.00 +0.140 A ATOM 32 C LIG 1 7.037 0.290 0.758 0.00 0.00 +0.032 A ATOM 33 C LIG 1 7.218 1.220 1.799 0.00 0.00 +0.010 A ATOM 34 C LIG 1 8.476 1.756 2.073 0.00 0.00 +0.002 A ATOM 35 C LIG 1 9.584 1.347 1.332 0.00 0.00 +0.019 A ATOM 36 C LIG 1 9.429 0.415 0.303 0.00 0.00 +0.060 A ATOM 37 BR LIG 1 10.991 -0.164 -0.608 0.00 0.00 -0.047 Br BRANCH 31 39 ATOM 38 C LIG 1 7.781 -0.353 -2.261 0.00 0.00 +0.277 C ATOM 39 O LIG 1 7.996 -1.013 -1.009 0.00 0.00 -0.494 OA ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12