REMARK Name = LIG001181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.694 0.733 -0.162 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.421 -0.376 0.053 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.667 -1.483 0.090 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.297 -1.563 -0.064 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.863 -2.869 0.052 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.960 -3.567 0.257 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.617 -0.355 -0.287 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.078 -2.773 0.287 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.357 0.786 -0.324 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.451 -3.212 0.490 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.640 -3.852 1.866 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.914 -4.147 -0.626 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.321 1.974 -0.227 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.629 2.575 -0.665 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.641 1.986 -0.865 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.871 4.562 -0.729 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.827 3.325 -1.617 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.753 1.736 0.176 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -7.047 1.836 -0.417 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -7.691 1.681 0.296 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.769 -0.319 -0.475 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.186 -1.194 -0.163 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.413 0.879 0.027 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.912 0.713 -0.069 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.553 0.772 -1.311 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.939 0.606 -1.405 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.733 0.377 -0.267 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.071 0.301 0.972 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.683 0.465 1.071 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.198 0.214 -0.391 0.00 0.00 +0.072 A ATOM 31 N LIG 1 7.637 -0.325 -1.558 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 8.963 -0.504 -1.731 0.00 0.00 +0.112 A ATOM 33 C LIG 1 9.909 -0.162 -0.787 0.00 0.00 +0.038 A ATOM 34 C LIG 1 9.459 0.400 0.403 0.00 0.00 +0.055 A ATOM 35 C LIG 1 8.091 0.593 0.607 0.00 0.00 +0.047 A BRANCH 34 36 ATOM 36 C LIG 1 10.396 0.782 1.416 0.00 0.00 +0.099 C ATOM 37 N LIG 1 11.154 1.091 2.238 0.00 0.00 -0.191 NA ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 11