REMARK Name = BDB057579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.806 -0.365 0.171 0.00 0.00 +0.003 A ATOM 2 C LIG 1 -1.666 0.623 -0.350 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -3.056 0.504 -0.226 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -3.610 -0.606 0.408 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -2.768 -1.590 0.914 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -1.383 -1.482 0.803 0.00 0.00 +0.055 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.825 0.974 2.283 0.00 0.00 +0.044 C ATOM 8 C LIG 1 1.451 0.352 1.060 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.660 -0.276 0.066 0.00 0.00 -0.010 A ATOM 10 C LIG 1 1.294 -0.839 -1.057 0.00 0.00 +0.058 A ATOM 11 C LIG 1 2.673 -0.772 -1.185 0.00 0.00 +0.159 A ATOM 12 C LIG 1 3.447 -0.149 -0.214 0.00 0.00 +0.159 A ATOM 13 C LIG 1 2.849 0.413 0.906 0.00 0.00 +0.053 A BRANCH 11 14 ATOM 14 O LIG 1 3.270 -1.325 -2.282 0.00 0.00 -0.503 OA ATOM 15 H LIG 1 4.223 -1.147 -2.157 0.00 0.00 +0.292 HD ENDBRANCH 11 14 BRANCH 12 16 ATOM 16 O LIG 1 4.801 -0.114 -0.406 0.00 0.00 -0.503 OA ATOM 17 H LIG 1 5.197 0.384 0.330 0.00 0.00 +0.292 HD ENDBRANCH 12 16 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 C LIG 1 -1.104 1.804 -1.018 0.00 0.00 +0.341 C ATOM 19 O LIG 1 -0.722 2.826 -0.484 0.00 0.00 -0.245 OA BRANCH 18 20 ATOM 20 O LIG 1 -1.022 1.592 -2.344 0.00 0.00 -0.477 OA ATOM 21 H LIG 1 -0.628 2.419 -2.691 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 2 18 BRANCH 3 22 ATOM 22 O LIG 1 -3.875 1.479 -0.724 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -4.802 1.234 -0.563 0.00 0.00 +0.292 HD ENDBRANCH 3 22 BRANCH 5 24 ATOM 24 O LIG 1 -3.348 -2.663 1.524 0.00 0.00 -0.507 OA ATOM 25 H LIG 1 -2.653 -3.283 1.802 0.00 0.00 +0.292 HD ENDBRANCH 5 24 TORSDOF 7