REMARK Name = BDB059789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.619 -0.592 1.735 0.00 0.00 +0.000 A ATOM 2 C LIG 1 -3.753 -1.495 2.784 0.00 0.00 +0.000 A ATOM 3 F LIG 1 -3.187 -1.256 3.976 0.00 0.00 +0.000 F ATOM 4 C LIG 1 -4.462 -2.678 2.603 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -5.056 -2.950 1.367 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.964 -2.031 0.307 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -4.230 -0.849 0.502 0.00 0.00 +0.000 A ENDROOT BRANCH 1 13 ATOM 8 N LIG 1 1.364 0.828 2.248 0.00 0.00 +0.000 N ATOM 9 C LIG 1 0.654 2.002 2.491 0.00 0.00 +0.000 C ATOM 10 O LIG 1 1.220 3.064 2.757 0.00 0.00 +0.000 OA ATOM 11 C LIG 1 -0.883 1.915 2.495 0.00 0.00 +0.000 C ATOM 12 N LIG 1 -1.514 0.658 2.090 0.00 0.00 +0.000 N ATOM 13 C LIG 1 -2.895 0.675 1.921 0.00 0.00 +0.000 C ATOM 14 O LIG 1 -3.560 1.708 1.884 0.00 0.00 +0.000 OA ATOM 15 C LIG 1 -0.698 -0.544 2.216 0.00 0.00 +0.000 C ATOM 16 C LIG 1 0.692 -0.311 1.635 0.00 0.00 +0.000 C BRANCH 8 17 ATOM 17 C LIG 1 2.821 0.887 2.176 0.00 0.00 +0.000 C BRANCH 17 18 ATOM 18 C LIG 1 3.330 1.177 0.766 0.00 0.00 +0.000 C BRANCH 18 19 ATOM 19 C LIG 1 4.846 1.352 0.751 0.00 0.00 +0.000 C BRANCH 19 20 ATOM 20 O LIG 1 5.267 1.460 -0.607 0.00 0.00 +0.000 OA BRANCH 20 21 ATOM 21 SI LIG 1 6.901 1.541 -0.976 0.00 0.00 +0.000 Si ATOM 22 C LIG 1 7.199 2.615 -2.491 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.961 2.160 0.444 0.00 0.00 +0.000 C BRANCH 21 25 ATOM 24 C LIG 1 6.713 -0.909 -2.626 0.00 0.00 +0.000 C ATOM 25 C LIG 1 7.562 -0.374 -1.454 0.00 0.00 +0.000 C ATOM 26 C LIG 1 9.048 -0.315 -1.860 0.00 0.00 +0.000 C ATOM 27 C LIG 1 7.391 -1.288 -0.225 0.00 0.00 +0.000 C ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 8 17 ENDBRANCH 1 13 BRANCH 6 28 ATOM 28 C LIG 1 -5.603 -2.344 -1.033 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 N LIG 1 -6.401 -1.247 -1.584 0.00 0.00 +0.000 N ATOM 30 C LIG 1 -7.724 -0.979 -1.110 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -8.459 0.073 -1.670 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -9.762 0.368 -1.244 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -10.352 -0.394 -0.240 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.639 -1.443 0.332 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.849 0.883 -2.736 0.00 0.00 +0.000 A ATOM 36 O LIG 1 -8.448 1.800 -3.285 0.00 0.00 +0.000 OA ATOM 37 N LIG 1 -6.572 0.546 -3.088 0.00 0.00 +0.000 N ATOM 38 H LIG 1 -6.139 1.099 -3.814 0.00 0.00 +0.000 HD ATOM 39 C LIG 1 -8.337 -1.734 -0.099 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.819 -0.472 -2.577 0.00 0.00 +0.000 A ATOM 41 O LIG 1 -4.681 -0.651 -3.010 0.00 0.00 +0.000 OA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 9