REMARK Name = BDB057537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.229 -4.905 -0.871 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.859 -6.271 -1.156 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.962 -6.675 -0.824 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.025 -7.098 -1.829 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.558 -7.915 -1.935 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -1.204 -3.820 -1.117 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -1.141 -3.075 -0.412 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -1.341 -3.233 -2.386 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -1.995 -1.984 -2.518 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.189 -1.388 -3.775 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -1.785 -2.053 -4.928 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.195 -3.308 -4.825 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -0.986 -3.894 -3.570 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -2.454 -1.256 -1.307 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -1.685 -1.129 -0.356 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -3.828 -0.696 -1.225 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -4.050 0.416 -0.404 0.00 0.00 +0.057 A ATOM 18 C LIG 1 -5.329 0.963 -0.278 0.00 0.00 +0.122 A ATOM 19 C LIG 1 -6.391 0.392 -0.980 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -6.178 -0.729 -1.788 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -4.901 -1.279 -1.907 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 O LIG 1 -5.404 2.047 0.551 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -6.704 2.563 0.838 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 C LIG 1 -6.590 3.646 1.886 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -7.240 4.877 1.716 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -7.159 5.864 2.700 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.436 5.628 3.868 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.792 4.406 4.053 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.872 3.419 3.070 0.00 0.00 +0.007 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 30 ATOM 30 C LIG 1 0.207 -4.921 0.609 0.00 0.00 +0.068 C BRANCH 30 34 ATOM 31 C LIG 1 3.197 -1.900 1.440 0.00 0.00 +0.121 A ATOM 32 C LIG 1 3.569 -3.161 0.968 0.00 0.00 +0.046 A ATOM 33 C LIG 1 2.608 -4.140 0.705 0.00 0.00 +0.007 A ATOM 34 C LIG 1 1.252 -3.874 0.923 0.00 0.00 -0.045 A ATOM 35 C LIG 1 0.884 -2.615 1.411 0.00 0.00 +0.007 A ATOM 36 C LIG 1 1.849 -1.634 1.665 0.00 0.00 +0.046 A BRANCH 31 37 ATOM 37 O LIG 1 4.241 -1.040 1.633 0.00 0.00 -0.490 OA BRANCH 37 38 ATOM 38 C LIG 1 3.963 0.326 1.962 0.00 0.00 +0.248 C BRANCH 38 39 ATOM 39 C LIG 1 3.583 1.164 0.728 0.00 0.00 +0.150 C BRANCH 39 41 ATOM 40 C LIG 1 5.073 0.254 -1.058 0.00 0.00 +0.134 C ATOM 41 N LIG 1 4.706 1.367 -0.198 0.00 0.00 -0.285 N BRANCH 41 42 ATOM 42 C LIG 1 5.659 2.259 0.162 0.00 0.00 +0.291 A ATOM 43 O LIG 1 6.831 2.255 -0.552 0.00 0.00 -0.424 OA ATOM 44 C LIG 1 7.581 3.231 0.031 0.00 0.00 +0.157 A ATOM 45 C LIG 1 6.834 3.779 1.058 0.00 0.00 +0.111 A ATOM 46 C LIG 1 7.387 4.815 1.821 0.00 0.00 +0.031 A ATOM 47 C LIG 1 8.684 5.249 1.504 0.00 0.00 +0.002 A ATOM 48 C LIG 1 9.407 4.665 0.456 0.00 0.00 +0.004 A ATOM 49 C LIG 1 8.866 3.630 -0.316 0.00 0.00 +0.048 A ATOM 50 N LIG 1 5.617 3.152 1.132 0.00 0.00 -0.195 NA ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 16