REMARK Name = BDB057552 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.804 0.040 -1.258 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.644 1.554 -1.066 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.681 2.392 -1.958 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.459 1.927 0.217 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.366 2.901 0.199 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.851 -0.689 0.048 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.039 0.016 0.786 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.857 -1.684 0.108 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.172 -1.436 0.555 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.131 -2.464 0.542 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.800 -3.729 0.057 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.514 -3.975 -0.414 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.554 -2.961 -0.390 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.559 -0.093 1.066 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.760 0.590 1.695 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.904 0.467 0.795 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -7.651 1.079 1.817 0.00 0.00 +0.066 A ATOM 18 C LIG 1 -8.899 1.643 1.486 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -9.387 1.593 0.179 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -8.636 0.986 -0.824 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.395 0.428 -0.521 0.00 0.00 +0.012 A BRANCH 17 22 ATOM 22 C LIG 1 -7.160 1.137 3.244 0.00 0.00 +0.418 C ATOM 23 F LIG 1 -6.630 -0.039 3.680 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -8.175 1.404 4.123 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -6.237 2.109 3.465 0.00 0.00 -0.166 F ENDBRANCH 17 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -1.681 -0.484 -2.170 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 2.355 0.384 -0.898 0.00 0.00 +0.121 A ATOM 28 C LIG 1 1.782 1.105 -1.943 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.480 0.820 -2.358 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -0.268 -0.180 -1.718 0.00 0.00 -0.045 A ATOM 31 C LIG 1 0.308 -0.873 -0.645 0.00 0.00 +0.007 A ATOM 32 C LIG 1 1.612 -0.587 -0.229 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 3.622 0.735 -0.526 0.00 0.00 -0.490 OA BRANCH 33 34 ATOM 34 C LIG 1 4.548 -0.364 -0.481 0.00 0.00 +0.248 C BRANCH 34 35 ATOM 35 C LIG 1 5.587 -0.211 -1.605 0.00 0.00 +0.150 C BRANCH 35 37 ATOM 36 C LIG 1 6.112 2.231 -1.563 0.00 0.00 +0.134 C ATOM 37 N LIG 1 6.557 0.862 -1.359 0.00 0.00 -0.285 N BRANCH 37 38 ATOM 38 C LIG 1 7.558 0.676 -0.464 0.00 0.00 +0.291 A ATOM 39 O LIG 1 7.811 -0.610 -0.056 0.00 0.00 -0.424 OA ATOM 40 C LIG 1 8.849 -0.484 0.819 0.00 0.00 +0.157 A ATOM 41 C LIG 1 9.173 0.859 0.898 0.00 0.00 +0.111 A ATOM 42 C LIG 1 10.219 1.257 1.741 0.00 0.00 +0.031 A ATOM 43 C LIG 1 10.895 0.265 2.470 0.00 0.00 +0.002 A ATOM 44 C LIG 1 10.536 -1.086 2.359 0.00 0.00 +0.004 A ATOM 45 C LIG 1 9.492 -1.497 1.520 0.00 0.00 +0.048 A ATOM 46 N LIG 1 8.347 1.583 0.080 0.00 0.00 -0.195 NA ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 14