REMARK Name = LIG000093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.159 -0.317 -1.056 0.00 0.00 -0.281 N ATOM 2 C LIG 1 3.210 -1.216 -1.530 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.374 -2.159 -2.280 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.918 -0.819 -0.961 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.680 -1.444 -1.074 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -0.413 -0.851 -0.435 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.215 0.328 0.289 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.205 1.196 1.003 0.00 0.00 +0.047 C ATOM 9 C LIG 1 -2.229 0.475 1.877 0.00 0.00 +0.099 C ATOM 10 N LIG 1 -3.358 0.284 0.961 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -3.491 1.560 0.254 0.00 0.00 +0.086 C ATOM 12 C LIG 1 -2.050 2.014 0.012 0.00 0.00 +0.031 C ATOM 13 C LIG 1 -0.205 2.034 1.818 0.00 0.00 +0.242 C ATOM 14 O LIG 1 1.062 2.071 1.117 0.00 0.00 -0.490 OA ATOM 15 C LIG 1 1.042 0.919 0.383 0.00 0.00 +0.130 A ATOM 16 C LIG 1 2.116 0.358 -0.246 0.00 0.00 +0.024 A ATOM 17 C LIG 1 3.530 0.797 -0.343 0.00 0.00 +0.148 C ENDROOT BRANCH 1 24 ATOM 18 O LIG 1 7.890 -0.622 1.807 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.282 -0.566 0.742 0.00 0.00 +0.219 C ATOM 20 N LIG 1 7.178 0.617 0.054 0.00 0.00 -0.255 N ATOM 21 H LIG 1 7.637 1.411 0.479 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 6.342 0.902 -0.999 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.172 2.068 -1.353 0.00 0.00 -0.273 OA ATOM 24 C LIG 1 5.529 -0.269 -1.574 0.00 0.00 +0.163 C ATOM 25 C LIG 1 6.307 -1.567 -1.329 0.00 0.00 +0.041 C ATOM 26 C LIG 1 6.563 -1.757 0.159 0.00 0.00 +0.098 C ENDBRANCH 1 24 BRANCH 10 27 ATOM 27 C LIG 1 -4.580 -0.121 1.662 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 C LIG 1 -5.714 -0.464 0.720 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -6.919 0.252 0.760 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -7.965 -0.073 -0.107 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -7.817 -1.116 -1.020 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.625 -1.835 -1.069 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.579 -1.512 -0.203 0.00 0.00 +0.005 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 3