REMARK Name = LIG000792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.950 -0.107 -0.204 0.00 0.00 +0.030 A ATOM 2 C LIG 1 -1.034 -0.803 -1.003 0.00 0.00 +0.062 A ATOM 3 C LIG 1 0.343 -0.655 -0.824 0.00 0.00 +0.137 A ATOM 4 F LIG 1 1.157 -1.369 -1.617 0.00 0.00 -0.205 F ATOM 5 C LIG 1 0.854 0.209 0.141 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -0.051 0.940 0.919 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -1.433 0.791 0.737 0.00 0.00 +0.024 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 2.311 0.406 0.373 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.188 -0.322 -0.397 0.00 0.00 -0.300 N ATOM 10 H LIG 1 2.833 -1.055 -1.010 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 2.697 1.190 1.235 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 4.624 -0.282 -0.170 0.00 0.00 +0.160 C ATOM 13 C LIG 1 5.278 -1.488 -0.852 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.648 -2.481 -1.215 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.638 -1.414 -1.027 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.059 -2.208 -1.491 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.387 -0.265 -1.055 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.525 -0.265 -1.516 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.753 0.971 -0.462 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.253 0.996 -0.715 0.00 0.00 +0.041 C ENDBRANCH 9 12 ENDBRANCH 5 8 BRANCH 1 21 ATOM 21 N LIG 1 -3.313 -0.244 -0.480 0.00 0.00 -0.344 N ATOM 22 H LIG 1 -3.531 -1.156 -0.876 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.304 0.210 0.491 0.00 0.00 +0.101 C BRANCH 23 24 ATOM 24 C LIG 1 -5.707 -0.131 -0.017 0.00 0.00 +0.018 C BRANCH 24 26 ATOM 25 C LIG 1 -8.178 0.003 0.457 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.783 0.341 0.959 0.00 0.00 -0.002 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6