REMARK Name = BDB057519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.829 -0.123 -1.428 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.483 -0.523 -1.340 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.880 0.417 -2.174 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.513 0.539 -2.208 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.324 -0.275 -1.407 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -0.714 -1.220 -0.574 0.00 0.00 +0.007 A ATOM 7 C LIG 1 0.678 -1.341 -0.545 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 2.826 -0.744 -1.212 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 3.696 0.108 -1.955 0.00 0.00 +0.229 C BRANCH 9 10 ATOM 10 C LIG 1 5.143 -0.280 -1.658 0.00 0.00 +0.046 C BRANCH 10 11 ATOM 11 C LIG 1 5.495 -0.097 -0.178 0.00 0.00 +0.038 C BRANCH 11 15 ATOM 12 C LIG 1 9.671 -0.984 0.523 0.00 0.00 +0.161 A ATOM 13 C LIG 1 9.257 0.350 0.332 0.00 0.00 +0.162 A ATOM 14 C LIG 1 7.902 0.629 0.109 0.00 0.00 +0.053 A ATOM 15 C LIG 1 6.950 -0.402 0.085 0.00 0.00 -0.044 A ATOM 16 C LIG 1 7.372 -1.720 0.277 0.00 0.00 +0.007 A ATOM 17 C LIG 1 8.721 -2.010 0.495 0.00 0.00 +0.049 A BRANCH 12 19 ATOM 18 C LIG 1 11.473 -2.510 0.895 0.00 0.00 +0.277 C ATOM 19 O LIG 1 11.015 -1.176 0.731 0.00 0.00 -0.491 OA ENDBRANCH 12 19 BRANCH 13 20 ATOM 20 O LIG 1 10.248 1.301 0.371 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 9.857 2.663 0.293 0.00 0.00 +0.277 C ENDBRANCH 13 20 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -3.363 0.749 -0.277 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -3.105 2.239 -0.563 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -2.819 2.765 -1.628 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -3.303 3.006 0.535 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -3.215 3.926 0.209 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -4.827 0.537 -0.131 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -5.319 1.446 -0.100 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.318 -0.256 0.925 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -6.622 -0.042 1.436 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -7.144 -0.852 2.459 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -6.403 -1.926 2.945 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.147 -2.193 2.409 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.619 -1.374 1.404 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -7.443 1.093 0.930 0.00 0.00 +0.195 C ATOM 36 O LIG 1 -6.904 2.179 0.717 0.00 0.00 -0.287 OA BRANCH 35 37 ATOM 37 C LIG 1 -8.897 0.937 0.668 0.00 0.00 +0.022 A ATOM 38 C LIG 1 -9.434 -0.270 0.203 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -10.806 -0.373 -0.039 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -11.638 0.727 0.171 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -11.102 1.936 0.615 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -9.732 2.045 0.857 0.00 0.00 +0.012 A ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 15