REMARK Name = BDB038926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.837 0.221 -0.502 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.808 -0.593 -0.064 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.502 0.027 0.128 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.366 -0.945 0.326 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.581 -2.341 0.397 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.505 -3.223 0.565 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.194 -2.758 0.698 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.993 -1.373 0.645 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.135 -0.572 0.734 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.267 0.749 0.617 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.579 0.802 0.456 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.976 -2.890 0.229 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.042 -0.483 0.467 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -6.038 -1.863 0.613 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.684 1.378 -0.877 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.549 2.023 0.614 0.00 0.00 +0.055 C ATOM 17 C LIG 1 1.806 2.061 1.482 0.00 0.00 +0.011 C ATOM 18 C LIG 1 2.429 3.458 1.486 0.00 0.00 +0.001 C ATOM 19 C LIG 1 2.742 3.925 0.067 0.00 0.00 +0.000 C ATOM 20 C LIG 1 1.511 3.868 -0.832 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.854 2.487 -0.819 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -9.132 0.407 -0.928 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -8.047 -0.403 -0.475 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.472 -1.106 0.943 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 2.305 -1.182 -0.344 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 3.797 -1.282 -0.050 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.672 -0.296 -0.552 0.00 0.00 +0.053 A ATOM 28 C LIG 1 6.044 -0.352 -0.288 0.00 0.00 +0.155 A ATOM 29 C LIG 1 6.536 -1.408 0.483 0.00 0.00 +0.165 A ATOM 30 F LIG 1 7.847 -1.492 0.756 0.00 0.00 -0.202 F ATOM 31 C LIG 1 5.691 -2.394 0.982 0.00 0.00 +0.042 A ATOM 32 C LIG 1 4.324 -2.333 0.717 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 O LIG 1 6.976 0.551 -0.721 0.00 0.00 -0.492 OA ATOM 34 C LIG 1 6.522 1.621 -1.539 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 1.827 -2.347 -1.188 0.00 0.00 +0.314 C ATOM 36 O LIG 1 1.742 -3.513 -0.837 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 1.482 -1.979 -2.437 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 1.173 -2.804 -2.868 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8