REMARK Name = LIG000569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.125 -1.743 -2.516 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.060 -0.751 -2.338 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.651 -2.106 -3.742 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -0.881 -3.252 -4.122 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 1.828 -0.661 1.270 0.00 0.00 -0.282 N ATOM 6 C LIG 1 1.909 -1.965 1.736 0.00 0.00 +0.248 C ATOM 7 O LIG 1 2.459 -2.372 2.740 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.234 -2.815 0.749 0.00 0.00 +0.043 A ATOM 9 C LIG 1 0.834 -2.019 -0.326 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.236 -2.583 -1.444 0.00 0.00 +0.039 A ATOM 11 C LIG 1 0.046 -3.971 -1.435 0.00 0.00 +0.023 A ATOM 12 C LIG 1 0.447 -4.764 -0.340 0.00 0.00 +0.003 A ATOM 13 C LIG 1 1.058 -4.186 0.769 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.234 -0.607 -0.058 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 5.800 2.377 3.593 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.869 1.710 3.151 0.00 0.00 +0.219 C ATOM 17 N LIG 1 5.062 0.876 2.078 0.00 0.00 -0.255 N ATOM 18 H LIG 1 6.010 0.825 1.724 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 4.100 0.292 1.287 0.00 0.00 +0.240 C ATOM 20 O LIG 1 4.409 -0.218 0.209 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 2.646 0.442 1.768 0.00 0.00 +0.163 C ATOM 22 C LIG 1 2.601 0.633 3.284 0.00 0.00 +0.041 C ATOM 23 C LIG 1 3.451 1.840 3.664 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 -0.905 -0.905 -4.675 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 -1.991 -0.031 -4.191 0.00 0.00 -0.320 N ATOM 26 H LIG 1 -2.690 -0.602 -3.695 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.591 0.963 -3.295 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -2.011 0.808 -2.033 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 -1.635 1.706 -1.107 0.00 0.00 +0.220 A ATOM 30 N LIG 1 -0.787 2.701 -1.389 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 -0.393 2.847 -2.668 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -0.768 1.995 -3.671 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 -2.042 1.507 0.199 0.00 0.00 -0.294 N ATOM 34 C LIG 1 -3.338 0.832 0.450 0.00 0.00 +0.102 C ATOM 35 C LIG 1 -3.754 1.375 1.824 0.00 0.00 +0.026 C ATOM 36 C LIG 1 -3.200 2.784 1.817 0.00 0.00 +0.021 C ATOM 37 C LIG 1 -1.843 2.607 1.145 0.00 0.00 +0.108 C BRANCH 34 38 ATOM 38 C LIG 1 -3.218 -0.702 0.501 0.00 0.00 +0.178 C BRANCH 38 39 ATOM 39 O LIG 1 -3.147 -1.284 -0.801 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 -2.586 -0.678 -1.324 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 8