REMARK Name = BDB057546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.884 3.075 2.812 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.235 2.031 1.826 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.236 1.088 2.247 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.580 1.069 0.043 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.223 2.171 0.853 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.792 3.406 0.515 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -5.728 3.525 -0.522 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -6.102 2.412 -1.268 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.524 1.178 -0.990 0.00 0.00 +0.013 A BRANCH 4 10 ATOM 10 C LIG 1 -3.946 -0.248 0.270 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -4.100 -0.801 1.356 0.00 0.00 -0.287 OA BRANCH 10 16 ATOM 12 C LIG 1 -0.706 -2.833 -3.788 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -1.563 -2.160 -2.755 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -1.768 -0.775 -2.802 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.543 -0.139 -1.829 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -3.120 -0.883 -0.794 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -2.892 -2.262 -0.728 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -2.120 -2.896 -1.704 0.00 0.00 +0.004 A ENDBRANCH 10 16 ENDBRANCH 4 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.447 2.426 4.132 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -2.438 1.232 4.390 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -2.111 3.320 5.089 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -1.883 2.748 5.854 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -1.779 4.005 2.270 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 C LIG 1 -0.440 3.339 2.025 0.00 0.00 -0.045 A ATOM 25 C LIG 1 0.629 3.534 2.905 0.00 0.00 +0.007 A ATOM 26 C LIG 1 1.848 2.885 2.689 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.018 2.026 1.601 0.00 0.00 +0.121 A ATOM 28 C LIG 1 0.963 1.847 0.710 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -0.254 2.502 0.919 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 O LIG 1 3.250 1.436 1.526 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 3.419 0.345 0.614 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 2.878 -0.969 1.203 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 N LIG 1 2.598 -1.976 0.178 0.00 0.00 -0.285 N ATOM 34 C LIG 1 1.292 -1.942 -0.457 0.00 0.00 +0.134 C BRANCH 33 35 ATOM 35 C LIG 1 3.615 -2.528 -0.525 0.00 0.00 +0.291 A ATOM 36 O LIG 1 4.875 -2.428 0.007 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 5.671 -3.060 -0.898 0.00 0.00 +0.157 A ATOM 38 C LIG 1 4.865 -3.504 -1.931 0.00 0.00 +0.111 A ATOM 39 C LIG 1 5.452 -4.187 -3.003 0.00 0.00 +0.031 A ATOM 40 C LIG 1 6.840 -4.391 -2.977 0.00 0.00 +0.002 A ATOM 41 C LIG 1 7.620 -3.928 -1.909 0.00 0.00 +0.004 A ATOM 42 C LIG 1 7.047 -3.242 -0.831 0.00 0.00 +0.048 A ATOM 43 N LIG 1 3.562 -3.159 -1.682 0.00 0.00 -0.195 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 13