REMARK Name = LIG001706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.752 0.299 0.378 0.00 0.00 -0.282 N ATOM 2 C LIG 1 2.239 -0.986 0.481 0.00 0.00 +0.248 C ATOM 3 O LIG 1 2.805 -2.002 0.834 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.836 -0.918 0.059 0.00 0.00 +0.042 A ATOM 5 C LIG 1 0.574 0.382 -0.365 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.686 0.726 -0.824 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -1.687 -0.261 -0.845 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.392 -1.577 -0.423 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.117 -1.917 0.037 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.809 1.211 -0.256 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -3.019 0.079 -1.324 0.00 0.00 +0.069 A ATOM 12 N LIG 1 -4.184 -0.005 -0.600 0.00 0.00 -0.325 N ATOM 13 C LIG 1 -4.368 -0.464 0.763 0.00 0.00 +0.138 C ATOM 14 C LIG 1 -5.755 -0.093 1.304 0.00 0.00 +0.103 C ATOM 15 N LIG 1 -6.827 -0.348 0.329 0.00 0.00 -0.308 NA ATOM 16 H LIG 1 -6.797 -1.324 0.033 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -6.625 0.489 -0.869 0.00 0.00 +0.156 C ATOM 18 C LIG 1 -5.225 0.420 -1.391 0.00 0.00 +0.124 A ATOM 19 N LIG 1 -4.790 0.775 -2.581 0.00 0.00 -0.239 NA ATOM 20 C LIG 1 -3.433 0.574 -2.548 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 27 ATOM 21 O LIG 1 8.252 -0.025 0.500 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 7.031 0.102 0.527 0.00 0.00 +0.219 C ATOM 23 N LIG 1 6.279 -0.054 -0.611 0.00 0.00 -0.255 N ATOM 24 H LIG 1 6.788 -0.309 -1.446 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 4.936 0.191 -0.777 0.00 0.00 +0.240 C ATOM 26 O LIG 1 4.433 0.158 -1.900 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 4.170 0.628 0.481 0.00 0.00 +0.163 C ATOM 28 C LIG 1 4.841 0.073 1.738 0.00 0.00 +0.041 C ATOM 29 C LIG 1 6.292 0.526 1.775 0.00 0.00 +0.098 C ENDBRANCH 1 27 TORSDOF 2