REMARK Name = BDB001349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.376 -1.260 -0.693 0.00 0.00 +0.186 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 -3.238 -2.708 0.890 0.00 0.00 -0.270 OA ATOM 3 C LIG 1 -3.587 -1.605 0.473 0.00 0.00 +0.248 C ATOM 4 N LIG 1 -2.783 -0.920 -0.402 0.00 0.00 -0.298 N ATOM 5 H LIG 1 -3.082 0.005 -0.694 0.00 0.00 +0.150 HD BRANCH 3 6 ATOM 6 C LIG 1 -4.905 -1.017 0.861 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -5.328 0.285 0.544 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -6.575 0.750 0.993 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -7.420 -0.086 1.722 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -7.019 -1.384 2.023 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -5.770 -1.844 1.601 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -4.479 1.140 -0.126 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -4.995 1.829 -1.202 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -5.722 1.204 -2.218 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -6.179 1.956 -3.302 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -5.898 3.321 -3.373 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.152 3.937 -2.368 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -4.692 3.188 -1.285 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 -1.194 -2.541 -1.526 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -0.382 -2.634 -2.440 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -1.929 -3.605 -1.133 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -2.469 -3.420 -0.326 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.515 -1.315 0.581 0.00 0.00 +0.071 C BRANCH 23 24 ATOM 24 C LIG 1 0.949 -1.113 0.327 0.00 0.00 -0.019 A ATOM 25 C LIG 1 1.950 -2.118 0.190 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.183 -1.477 -0.019 0.00 0.00 +0.063 A ATOM 27 C LIG 1 4.365 -2.232 -0.171 0.00 0.00 +0.065 A ATOM 28 C LIG 1 4.281 -3.623 -0.122 0.00 0.00 +0.125 A ATOM 29 C LIG 1 3.076 -4.274 0.070 0.00 0.00 +0.039 A ATOM 30 F LIG 1 5.399 -4.346 -0.268 0.00 0.00 -0.205 F ATOM 31 N LIG 1 2.947 -0.096 -0.034 0.00 0.00 -0.253 N ATOM 32 C LIG 1 3.846 0.977 -0.234 0.00 0.00 +0.420 C ATOM 33 O LIG 1 3.456 2.135 -0.190 0.00 0.00 -0.223 OA ATOM 34 C LIG 1 1.905 -3.531 0.229 0.00 0.00 +0.013 A ATOM 35 C LIG 1 1.590 0.098 0.197 0.00 0.00 +0.102 A BRANCH 32 36 ATOM 36 O LIG 1 5.101 0.535 -0.471 0.00 0.00 -0.443 OA BRANCH 36 37 ATOM 37 C LIG 1 6.089 1.557 -0.634 0.00 0.00 +0.269 C BRANCH 37 38 ATOM 38 C LIG 1 6.774 1.801 0.684 0.00 0.00 -0.010 A ATOM 39 C LIG 1 7.735 0.899 1.162 0.00 0.00 +0.007 A ATOM 40 C LIG 1 8.358 1.116 2.392 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.021 2.231 3.158 0.00 0.00 +0.000 A ATOM 42 C LIG 1 7.058 3.127 2.698 0.00 0.00 +0.000 A ATOM 43 C LIG 1 6.434 2.912 1.468 0.00 0.00 +0.007 A ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11