REMARK Name = BDB057539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -3.086 -0.957 1.338 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.172 -0.516 2.817 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.435 0.276 3.379 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -4.200 -1.146 3.456 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -4.651 -1.718 2.786 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -4.461 -1.513 0.992 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -5.083 -0.696 0.942 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.546 -2.168 -0.262 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.369 -1.554 -1.517 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -4.379 -2.311 -2.698 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.601 -3.684 -2.644 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.803 -4.304 -1.413 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.770 -3.553 -0.234 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -4.147 -0.104 -1.668 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -3.078 0.278 -2.132 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -5.189 0.873 -1.254 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -4.797 2.189 -0.982 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -5.743 3.136 -0.579 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -7.093 2.782 -0.443 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -7.481 1.463 -0.735 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -6.537 0.513 -1.138 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -8.126 3.809 -0.036 0.00 0.00 +0.417 C ATOM 23 F LIG 1 -8.764 4.351 -1.110 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -7.602 4.854 0.661 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -9.103 3.285 0.755 0.00 0.00 -0.166 F ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -1.955 -1.993 1.213 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 1.938 -0.167 0.910 0.00 0.00 +0.121 A ATOM 28 C LIG 1 1.506 -0.673 2.132 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.250 -1.275 2.232 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -0.587 -1.355 1.112 0.00 0.00 -0.045 A ATOM 31 C LIG 1 -0.153 -0.809 -0.106 0.00 0.00 +0.007 A ATOM 32 C LIG 1 1.104 -0.210 -0.205 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 3.162 0.439 0.870 0.00 0.00 -0.490 OA BRANCH 33 34 ATOM 34 C LIG 1 4.084 -0.218 -0.018 0.00 0.00 +0.248 C BRANCH 34 35 ATOM 35 C LIG 1 5.170 -0.940 0.797 0.00 0.00 +0.150 C BRANCH 35 37 ATOM 36 C LIG 1 5.714 0.725 2.578 0.00 0.00 +0.134 C ATOM 37 N LIG 1 6.143 -0.024 1.407 0.00 0.00 -0.285 N BRANCH 37 38 ATOM 38 C LIG 1 7.099 0.551 0.637 0.00 0.00 +0.291 A ATOM 39 O LIG 1 7.323 0.006 -0.603 0.00 0.00 -0.424 OA ATOM 40 C LIG 1 8.318 0.773 -1.130 0.00 0.00 +0.157 A ATOM 41 C LIG 1 8.647 1.738 -0.195 0.00 0.00 +0.111 A ATOM 42 C LIG 1 9.654 2.663 -0.499 0.00 0.00 +0.031 A ATOM 43 C LIG 1 10.286 2.565 -1.749 0.00 0.00 +0.002 A ATOM 44 C LIG 1 9.922 1.572 -2.668 0.00 0.00 +0.004 A ATOM 45 C LIG 1 8.917 0.640 -2.377 0.00 0.00 +0.048 A ATOM 46 N LIG 1 7.866 1.586 0.920 0.00 0.00 -0.195 NA ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 14