REMARK Name = LIG001567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.290 -0.325 0.051 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -0.018 0.093 0.263 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -0.369 1.007 0.984 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.892 -0.781 -0.548 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.052 -1.631 -1.280 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.572 -2.566 -2.159 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.958 -2.639 -2.292 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.796 -1.782 -1.555 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -2.280 -0.825 -0.658 0.00 0.00 -0.005 A ATOM 10 C LIG 1 1.380 -1.343 -0.980 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 6.315 1.829 0.384 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 5.142 1.484 0.497 0.00 0.00 +0.219 C ATOM 13 N LIG 1 4.170 2.003 -0.319 0.00 0.00 -0.255 N ATOM 14 H LIG 1 4.519 2.605 -1.054 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 2.961 1.406 -0.597 0.00 0.00 +0.240 C ATOM 16 O LIG 1 2.393 1.626 -1.663 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 2.430 0.466 0.499 0.00 0.00 +0.163 C ATOM 18 C LIG 1 3.580 -0.402 1.003 0.00 0.00 +0.041 C ATOM 19 C LIG 1 4.688 0.490 1.541 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 9 20 ATOM 20 C LIG 1 -3.195 0.043 0.092 0.00 0.00 -0.017 A ATOM 21 C LIG 1 -4.016 0.966 -0.577 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -4.910 1.776 0.128 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.999 1.673 1.514 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.193 0.764 2.195 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -3.300 -0.046 1.489 0.00 0.00 +0.008 A ENDBRANCH 9 20 TORSDOF 2