REMARK Name = BDB057556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.319 0.121 0.329 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.694 1.719 0.002 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.470 0.349 -0.128 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.173 -0.168 -0.017 0.00 0.00 +0.007 A ATOM 5 C LIG 1 0.084 0.678 0.223 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.312 2.053 0.346 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.607 2.564 0.237 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.901 2.356 -0.071 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 5.080 1.574 -0.271 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 5.608 1.032 1.056 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 5.791 -2.313 1.359 0.00 0.00 +0.088 C ATOM 12 C LIG 1 6.775 -1.278 0.999 0.00 0.00 +0.126 A ATOM 13 C LIG 1 6.739 0.093 0.865 0.00 0.00 +0.086 A ATOM 14 N LIG 1 7.983 0.550 0.493 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 8.725 -0.540 0.421 0.00 0.00 +0.228 A ATOM 16 O LIG 1 8.044 -1.694 0.713 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 10.139 -0.674 0.082 0.00 0.00 +0.037 A ATOM 18 C LIG 1 10.895 0.475 -0.200 0.00 0.00 +0.013 A ATOM 19 C LIG 1 12.252 0.379 -0.523 0.00 0.00 +0.001 A ATOM 20 C LIG 1 12.870 -0.868 -0.569 0.00 0.00 +0.000 A ATOM 21 C LIG 1 12.135 -2.018 -0.292 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.778 -1.922 0.032 0.00 0.00 +0.013 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -2.090 0.179 -1.002 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -1.673 -0.913 -1.992 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -1.020 -1.921 -1.756 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -2.113 -0.681 -3.250 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -1.817 -1.462 -3.759 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -3.562 0.225 -0.802 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -3.849 1.187 -0.577 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.282 -0.675 -0.004 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -5.550 -0.306 0.515 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.303 -1.192 1.301 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -5.842 -2.485 1.530 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.636 -2.890 0.973 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -3.874 -1.999 0.207 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -6.067 1.070 0.270 0.00 0.00 +0.168 C ATOM 37 O LIG 1 -5.297 2.018 0.450 0.00 0.00 -0.292 OA BRANCH 36 38 ATOM 38 C LIG 1 -7.503 1.307 -0.197 0.00 0.00 +0.060 C ATOM 39 C LIG 1 -8.414 1.677 0.983 0.00 0.00 +0.011 C ATOM 40 C LIG 1 -9.863 1.227 0.789 0.00 0.00 +0.001 C ATOM 41 C LIG 1 -10.312 1.410 -0.655 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -9.460 0.604 -1.639 0.00 0.00 +0.001 C ATOM 43 C LIG 1 -8.092 0.204 -1.081 0.00 0.00 +0.011 C ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13