REMARK Name = BDB045332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.167 1.188 -1.393 0.00 0.00 +0.226 C ATOM 2 C LIG 1 -1.586 0.604 -1.477 0.00 0.00 +0.245 C ATOM 3 O LIG 1 -2.311 0.773 -0.253 0.00 0.00 -0.480 OA ATOM 4 C LIG 1 -2.239 2.016 0.315 0.00 0.00 +0.132 A ATOM 5 C LIG 1 -1.292 2.987 -0.040 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.345 4.228 0.613 0.00 0.00 +0.127 A ATOM 7 C LIG 1 -2.283 4.482 1.617 0.00 0.00 +0.091 A ATOM 8 C LIG 1 -3.188 3.490 1.972 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -3.173 2.262 1.326 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -0.265 2.686 -1.100 0.00 0.00 +0.091 C ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -1.542 -0.878 -1.837 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -1.311 -1.260 -3.180 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -1.203 -2.606 -3.511 0.00 0.00 +0.162 A ATOM 14 C LIG 1 -1.327 -3.581 -2.528 0.00 0.00 +0.201 A ATOM 15 C LIG 1 -1.564 -3.219 -1.205 0.00 0.00 +0.162 A ATOM 16 C LIG 1 -1.667 -1.878 -0.849 0.00 0.00 +0.056 A BRANCH 13 17 ATOM 17 O LIG 1 -0.951 -2.962 -4.808 0.00 0.00 -0.503 OA ATOM 18 H LIG 1 -0.890 -3.942 -4.777 0.00 0.00 +0.292 HD ENDBRANCH 13 17 BRANCH 14 19 ATOM 19 O LIG 1 -1.203 -4.898 -2.875 0.00 0.00 -0.501 OA ATOM 20 H LIG 1 -1.369 -5.381 -2.038 0.00 0.00 +0.292 HD ENDBRANCH 14 19 BRANCH 15 21 ATOM 21 O LIG 1 -1.673 -4.218 -0.285 0.00 0.00 -0.503 OA ATOM 22 H LIG 1 -1.864 -3.807 0.578 0.00 0.00 +0.292 HD ENDBRANCH 15 21 ENDBRANCH 2 11 BRANCH 8 23 ATOM 23 O LIG 1 -4.116 3.687 2.955 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 -4.019 4.590 3.298 0.00 0.00 +0.292 HD ENDBRANCH 8 23 BRANCH 6 25 ATOM 25 O LIG 1 -0.495 5.263 0.324 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 0.081 5.029 -0.421 0.00 0.00 +0.292 HD ENDBRANCH 6 25 BRANCH 1 27 ATOM 27 O LIG 1 0.557 0.523 -0.332 0.00 0.00 -0.453 OA BRANCH 27 29 ATOM 28 O LIG 1 2.558 1.132 -1.260 0.00 0.00 -0.245 OA ATOM 29 C LIG 1 1.905 0.547 -0.413 0.00 0.00 +0.340 C BRANCH 29 30 ATOM 30 C LIG 1 2.500 -0.265 0.680 0.00 0.00 +0.066 A ATOM 31 C LIG 1 1.717 -0.819 1.707 0.00 0.00 +0.064 A ATOM 32 C LIG 1 2.330 -1.568 2.707 0.00 0.00 +0.163 A ATOM 33 C LIG 1 3.705 -1.771 2.698 0.00 0.00 +0.201 A ATOM 34 C LIG 1 4.476 -1.243 1.669 0.00 0.00 +0.163 A ATOM 35 C LIG 1 3.890 -0.478 0.665 0.00 0.00 +0.064 A BRANCH 32 36 ATOM 36 O LIG 1 1.564 -2.088 3.711 0.00 0.00 -0.503 OA ATOM 37 H LIG 1 2.192 -2.555 4.298 0.00 0.00 +0.292 HD ENDBRANCH 32 36 BRANCH 33 38 ATOM 38 O LIG 1 4.279 -2.468 3.727 0.00 0.00 -0.501 OA ATOM 39 H LIG 1 5.236 -2.242 3.699 0.00 0.00 +0.292 HD ENDBRANCH 33 38 BRANCH 34 40 ATOM 40 O LIG 1 5.820 -1.474 1.635 0.00 0.00 -0.503 OA ATOM 41 H LIG 1 5.930 -2.425 1.448 0.00 0.00 +0.292 HD ENDBRANCH 34 40 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 12