REMARK Name = BDB057544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.274 2.933 1.349 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -0.914 0.419 -0.162 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.240 0.081 1.012 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.781 0.893 1.510 0.00 0.00 +0.007 A ATOM 5 C LIG 1 1.154 2.057 0.831 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.474 2.395 -0.347 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.553 1.582 -0.841 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 -1.890 -0.462 -0.535 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 -2.646 -0.144 -1.708 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 -3.703 -1.228 -1.918 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 -4.055 -2.181 1.298 0.00 0.00 +0.088 C ATOM 12 C LIG 1 -4.949 -1.504 0.342 0.00 0.00 +0.126 A ATOM 13 C LIG 1 -4.843 -1.096 -0.971 0.00 0.00 +0.086 A ATOM 14 N LIG 1 -6.018 -0.490 -1.359 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 -6.782 -0.542 -0.283 0.00 0.00 +0.228 A ATOM 16 O LIG 1 -6.189 -1.150 0.793 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 -8.145 -0.050 -0.093 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -8.805 -0.148 1.142 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -10.108 0.334 1.297 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -10.769 0.918 0.219 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -10.129 1.024 -1.014 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -8.825 0.544 -1.167 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 3.703 2.477 0.988 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 3.876 2.333 -0.532 0.00 0.00 +0.326 C ATOM 25 O LIG 1 4.237 1.349 -1.161 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 3.635 3.487 -1.198 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 3.796 3.244 -2.135 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 4.040 1.233 1.729 0.00 0.00 -0.331 N ATOM 29 H LIG 1 3.436 0.455 1.427 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 5.387 0.811 1.690 0.00 0.00 +0.039 A ATOM 31 C LIG 1 5.759 -0.456 1.183 0.00 0.00 +0.043 A ATOM 32 C LIG 1 7.105 -0.859 1.189 0.00 0.00 +0.013 A ATOM 33 C LIG 1 8.092 0.000 1.670 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.739 1.254 2.160 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.399 1.651 2.175 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 4.725 -1.387 0.652 0.00 0.00 +0.196 C ATOM 37 O LIG 1 3.645 -1.493 1.229 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 4.962 -2.186 -0.568 0.00 0.00 +0.040 A ATOM 39 C LIG 1 4.381 -3.443 -0.673 0.00 0.00 +0.122 A ATOM 40 N LIG 1 4.544 -4.262 -1.742 0.00 0.00 -0.263 NA ATOM 41 C LIG 1 5.292 -3.787 -2.761 0.00 0.00 +0.111 A ATOM 42 C LIG 1 5.890 -2.534 -2.760 0.00 0.00 +0.020 A ATOM 43 C LIG 1 5.718 -1.718 -1.644 0.00 0.00 +0.015 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13