REMARK Name = LIG001570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.300 -0.090 -0.039 0.00 0.00 -0.221 N ATOM 2 C LIG 1 -0.316 0.251 -0.906 0.00 0.00 +0.268 C ATOM 3 O LIG 1 -0.424 0.661 -2.051 0.00 0.00 -0.268 OA ATOM 4 C LIG 1 0.993 0.037 -0.221 0.00 0.00 +0.099 C ATOM 5 C LIG 1 0.698 -0.328 1.028 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -0.759 -0.380 1.167 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.327 -0.625 2.215 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -6.653 0.930 0.632 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 -5.484 0.669 0.362 0.00 0.00 +0.219 C ATOM 10 N LIG 1 -4.501 1.619 0.485 0.00 0.00 -0.255 N ATOM 11 H LIG 1 -4.792 2.509 0.867 0.00 0.00 +0.158 HD ATOM 12 C LIG 1 -3.147 1.464 0.290 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -2.371 2.385 0.535 0.00 0.00 -0.273 OA ATOM 14 C LIG 1 -2.712 0.121 -0.308 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -3.622 -0.996 0.196 0.00 0.00 +0.041 C ATOM 16 C LIG 1 -5.061 -0.677 -0.178 0.00 0.00 +0.098 C ENDBRANCH 1 14 BRANCH 4 17 ATOM 17 N LIG 1 2.151 0.287 -0.904 0.00 0.00 -0.310 N ATOM 18 H LIG 1 1.997 0.713 -1.818 0.00 0.00 +0.152 HD BRANCH 17 19 ATOM 19 C LIG 1 3.486 -0.021 -0.605 0.00 0.00 +0.031 A ATOM 20 C LIG 1 3.874 -0.970 0.347 0.00 0.00 +0.023 A ATOM 21 C LIG 1 5.225 -1.197 0.634 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.212 -0.467 -0.022 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.849 0.488 -0.965 0.00 0.00 +0.002 A ATOM 24 C LIG 1 4.498 0.709 -1.249 0.00 0.00 +0.023 A ENDBRANCH 17 19 ENDBRANCH 4 17 TORSDOF 3