REMARK Name = LIG001563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.227 1.263 -1.613 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.322 0.414 -1.849 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.309 0.215 -0.874 0.00 0.00 +0.100 A ATOM 4 C LIG 1 -2.181 0.871 0.338 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -3.231 0.626 1.321 0.00 0.00 +0.278 A ATOM 6 N LIG 1 -4.202 -0.283 0.939 0.00 0.00 -0.198 N ATOM 7 N LIG 1 -4.258 -0.849 -0.304 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -3.219 1.214 2.398 0.00 0.00 -0.265 OA ATOM 9 C LIG 1 -1.100 1.717 0.604 0.00 0.00 +0.016 A ATOM 10 N LIG 1 -3.385 -0.629 -1.168 0.00 0.00 -0.131 NA ATOM 11 C LIG 1 -0.124 1.909 -0.372 0.00 0.00 +0.006 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.298 -0.583 1.861 0.00 0.00 +0.199 C ATOM 13 C LIG 1 -5.763 -2.033 1.728 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -5.079 -2.990 2.088 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -6.963 -2.242 1.087 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.226 -3.210 0.960 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -7.710 -1.330 0.386 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.653 -1.692 -0.313 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.276 0.113 0.463 0.00 0.00 +0.099 C ATOM 20 C LIG 1 -6.472 0.389 1.724 0.00 0.00 +0.046 C ENDBRANCH 6 12 BRANCH 1 21 ATOM 21 C LIG 1 0.844 1.447 -2.660 0.00 0.00 +0.141 C BRANCH 21 25 ATOM 22 N LIG 1 3.974 -0.016 -1.540 0.00 0.00 -0.269 N ATOM 23 H LIG 1 3.819 -0.832 -2.111 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 3.063 1.005 -1.705 0.00 0.00 +0.304 C ATOM 25 N LIG 1 1.965 0.566 -2.419 0.00 0.00 -0.295 N ATOM 26 H LIG 1 1.746 -0.414 -2.331 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 3.172 2.158 -1.310 0.00 0.00 -0.252 OA BRANCH 22 32 ATOM 28 C LIG 1 8.906 -0.139 1.370 0.00 0.00 +0.044 C ATOM 29 C LIG 1 7.599 -0.102 0.636 0.00 0.00 -0.050 A ATOM 30 C LIG 1 6.772 1.022 0.718 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.566 1.075 0.009 0.00 0.00 +0.023 A ATOM 32 C LIG 1 5.175 0.012 -0.804 0.00 0.00 +0.035 A ATOM 33 C LIG 1 6.008 -1.110 -0.894 0.00 0.00 +0.023 A ATOM 34 C LIG 1 7.213 -1.164 -0.186 0.00 0.00 +0.005 A ENDBRANCH 22 32 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 4