REMARK Name = LIG000875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.383 0.941 -1.451 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -0.403 0.662 -0.467 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 11 ATOM 3 N LIG 1 -4.465 0.658 0.032 0.00 0.00 -0.222 N ATOM 4 C LIG 1 -3.118 0.523 -0.166 0.00 0.00 +0.256 C ATOM 5 O LIG 1 -2.324 -0.152 0.462 0.00 0.00 -0.269 OA ATOM 6 C LIG 1 -2.757 1.393 -1.287 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -3.927 1.999 -1.716 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -3.950 2.896 -2.764 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -2.729 3.178 -3.374 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.537 2.555 -2.938 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -1.520 1.636 -1.876 0.00 0.00 +0.045 A ATOM 12 C LIG 1 -5.022 1.502 -0.887 0.00 0.00 +0.255 C ATOM 13 O LIG 1 -6.188 1.805 -1.046 0.00 0.00 -0.270 OA BRANCH 3 20 ATOM 14 O LIG 1 -8.534 -2.119 2.452 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -7.548 -1.526 2.025 0.00 0.00 +0.219 C ATOM 16 N LIG 1 -6.923 -1.931 0.871 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -7.364 -2.696 0.377 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -5.881 -1.315 0.215 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -5.507 -1.723 -0.883 0.00 0.00 -0.273 OA ATOM 20 C LIG 1 -5.209 -0.165 0.973 0.00 0.00 +0.171 C ATOM 21 C LIG 1 -6.243 0.599 1.795 0.00 0.00 +0.041 C ATOM 22 C LIG 1 -6.924 -0.362 2.759 0.00 0.00 +0.098 C ENDBRANCH 3 20 ENDBRANCH 1 11 BRANCH 1 23 ATOM 23 C LIG 1 0.904 0.755 -1.955 0.00 0.00 +0.128 A ATOM 24 N LIG 1 1.845 0.476 -1.039 0.00 0.00 -0.198 NA ATOM 25 C LIG 1 3.076 0.250 -1.489 0.00 0.00 +0.236 A ATOM 26 N LIG 1 3.494 0.352 -2.751 0.00 0.00 -0.222 NA ATOM 27 C LIG 1 2.527 0.609 -3.645 0.00 0.00 +0.118 A ATOM 28 C LIG 1 1.210 0.815 -3.299 0.00 0.00 +0.063 A BRANCH 25 29 ATOM 29 N LIG 1 4.132 0.122 -0.581 0.00 0.00 -0.184 N ATOM 30 H LIG 1 4.951 -0.106 -1.138 0.00 0.00 +0.177 HD BRANCH 29 31 ATOM 31 S LIG 1 3.851 -1.039 0.593 0.00 0.00 +0.075 S ATOM 32 O LIG 1 2.843 -0.605 1.534 0.00 0.00 -0.150 OA ATOM 33 O LIG 1 3.791 -2.330 -0.061 0.00 0.00 -0.150 OA BRANCH 31 34 ATOM 34 C LIG 1 5.406 -0.974 1.467 0.00 0.00 +0.109 A ATOM 35 C LIG 1 6.350 -1.993 1.304 0.00 0.00 +0.041 A ATOM 36 C LIG 1 7.569 -1.936 2.000 0.00 0.00 +0.057 A ATOM 37 C LIG 1 7.806 -0.855 2.867 0.00 0.00 +0.012 A ATOM 38 C LIG 1 6.854 0.154 3.030 0.00 0.00 +0.002 A ATOM 39 C LIG 1 5.649 0.097 2.332 0.00 0.00 +0.029 A BRANCH 36 40 ATOM 40 C LIG 1 8.588 -3.040 1.846 0.00 0.00 +0.417 C ATOM 41 F LIG 1 8.309 -4.117 2.629 0.00 0.00 -0.166 F ATOM 42 F LIG 1 9.852 -2.653 2.174 0.00 0.00 -0.166 F ATOM 43 F LIG 1 8.664 -3.510 0.570 0.00 0.00 -0.166 F ENDBRANCH 36 40 ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 1 23 TORSDOF 7