REMARK Name = LIG000578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.905 -8.466 -5.371 0.00 0.00 +0.000 A ATOM 2 C LIG 1 7.267 -8.092 -5.212 0.00 0.00 +0.000 A ATOM 3 C LIG 1 8.132 -8.187 -6.261 0.00 0.00 +0.000 A ATOM 4 C LIG 1 9.583 -7.887 -6.183 0.00 0.00 +0.000 C ATOM 5 N LIG 1 10.011 -8.160 -7.545 0.00 0.00 +0.000 N ATOM 6 C LIG 1 8.960 -8.574 -8.303 0.00 0.00 +0.000 C ATOM 7 O LIG 1 9.046 -8.899 -9.477 0.00 0.00 +0.000 OA ATOM 8 C LIG 1 7.751 -8.597 -7.499 0.00 0.00 +0.000 A ATOM 9 C LIG 1 6.414 -8.943 -7.748 0.00 0.00 +0.000 A ATOM 10 C LIG 1 5.484 -8.876 -6.670 0.00 0.00 +0.000 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 11.414 -8.105 -7.962 0.00 0.00 +0.000 C ATOM 12 C LIG 1 11.534 -8.437 -9.441 0.00 0.00 +0.000 C ATOM 13 O LIG 1 11.376 -7.550 -10.268 0.00 0.00 +0.000 OA ATOM 14 N LIG 1 11.666 -9.732 -9.861 0.00 0.00 +0.000 N ATOM 15 H LIG 1 11.621 -9.934 -10.872 0.00 0.00 +0.000 HD ATOM 16 C LIG 1 11.802 -10.775 -8.989 0.00 0.00 +0.000 C ATOM 17 O LIG 1 11.790 -11.921 -9.416 0.00 0.00 +0.000 OA ATOM 18 C LIG 1 11.940 -10.552 -7.499 0.00 0.00 +0.000 C ATOM 19 C LIG 1 12.293 -9.093 -7.192 0.00 0.00 +0.000 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 4.904 -8.425 -4.188 0.00 0.00 +0.000 C BRANCH 20 22 ATOM 21 C LIG 1 4.371 -5.949 -4.262 0.00 0.00 +0.000 C ATOM 22 N LIG 1 4.780 -7.081 -3.627 0.00 0.00 +0.000 N ATOM 23 H LIG 1 4.992 -6.961 -2.653 0.00 0.00 +0.000 HD ATOM 24 O LIG 1 4.050 -5.971 -5.441 0.00 0.00 +0.000 OA BRANCH 21 30 ATOM 25 C LIG 1 3.643 -0.270 -1.925 0.00 0.00 +0.000 A ATOM 26 C LIG 1 4.704 -0.565 -1.016 0.00 0.00 +0.000 A ATOM 27 C LIG 1 5.319 -1.816 -1.076 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.885 -2.760 -1.995 0.00 0.00 +0.000 A ATOM 29 SE LIG 1 5.620 -4.383 -2.138 0.00 0.00 +0.000 Se ATOM 30 C LIG 1 4.383 -4.664 -3.481 0.00 0.00 +0.000 A ATOM 31 C LIG 1 3.556 -3.569 -3.706 0.00 0.00 +0.000 A ATOM 32 C LIG 1 3.851 -2.506 -2.865 0.00 0.00 +0.000 A ATOM 33 C LIG 1 3.214 -1.261 -2.851 0.00 0.00 +0.000 A BRANCH 25 35 ATOM 34 C LIG 1 2.493 1.825 -2.226 0.00 0.00 +0.000 C ATOM 35 O LIG 1 3.014 1.486 -1.848 0.00 0.00 +0.000 OA ENDBRANCH 25 35 BRANCH 26 36 ATOM 36 O LIG 1 5.182 0.315 -0.092 0.00 0.00 +0.000 OA ATOM 37 C LIG 1 6.198 0.108 0.816 0.00 0.00 +0.000 C ENDBRANCH 26 36 ENDBRANCH 21 30 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6