REMARK Name = LIG001924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.263 0.248 0.963 0.00 0.00 -0.281 N ATOM 2 C LIG 1 3.483 -0.424 1.895 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.807 -0.819 2.998 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.151 -0.583 1.299 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.003 -1.135 1.854 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -0.158 -1.160 1.072 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.110 -0.649 -0.229 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -1.204 -0.495 -1.245 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -2.071 0.747 -0.931 0.00 0.00 +0.030 C ATOM 10 C LIG 1 -3.404 0.340 -0.303 0.00 0.00 +0.086 C ATOM 11 N LIG 1 -4.215 -0.479 -1.224 0.00 0.00 -0.297 NA ATOM 12 C LIG 1 -3.418 -1.400 -2.048 0.00 0.00 +0.086 C ATOM 13 C LIG 1 -2.067 -1.756 -1.432 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -0.296 -0.230 -2.475 0.00 0.00 +0.240 C ATOM 15 O LIG 1 0.946 0.363 -2.025 0.00 0.00 -0.490 OA ATOM 16 C LIG 1 1.066 -0.111 -0.750 0.00 0.00 +0.130 A ATOM 17 C LIG 1 2.201 -0.065 0.008 0.00 0.00 +0.024 A ATOM 18 C LIG 1 3.562 0.441 -0.303 0.00 0.00 +0.148 C ENDROOT BRANCH 1 25 ATOM 19 O LIG 1 9.588 0.753 -0.234 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 8.463 0.634 0.241 0.00 0.00 +0.219 C ATOM 21 N LIG 1 7.812 -0.573 0.226 0.00 0.00 -0.255 N ATOM 22 H LIG 1 8.293 -1.307 -0.276 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 6.455 -0.761 0.364 0.00 0.00 +0.240 C ATOM 24 O LIG 1 5.922 -1.770 -0.093 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 5.709 0.361 1.105 0.00 0.00 +0.163 C ATOM 26 C LIG 1 6.238 1.710 0.628 0.00 0.00 +0.041 C ATOM 27 C LIG 1 7.734 1.788 0.891 0.00 0.00 +0.098 C ENDBRANCH 1 25 BRANCH 11 28 ATOM 28 C LIG 1 -5.275 -1.204 -0.485 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 C LIG 1 -6.261 -0.304 0.241 0.00 0.00 +0.055 A ATOM 30 N LIG 1 -6.281 -0.366 1.598 0.00 0.00 -0.259 NA ATOM 31 C LIG 1 -7.154 0.441 2.241 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -8.015 1.314 1.599 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.981 1.369 0.211 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -7.093 0.550 -0.481 0.00 0.00 +0.024 A ENDBRANCH 28 29 ENDBRANCH 11 28 TORSDOF 3