REMARK Name = LIG000095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.805 0.336 -0.167 0.00 0.00 +0.134 A ATOM 2 N LIG 1 -0.203 -0.817 0.276 0.00 0.00 -0.128 NA ATOM 3 N LIG 1 1.111 -0.678 0.160 0.00 0.00 -0.064 NA ATOM 4 N LIG 1 1.343 0.545 -0.346 0.00 0.00 -0.239 N ATOM 5 C LIG 1 0.180 1.214 -0.575 0.00 0.00 +0.141 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.691 0.988 -0.639 0.00 0.00 +0.195 C ATOM 7 C LIG 1 3.563 0.910 0.596 0.00 0.00 +0.244 C ATOM 8 O LIG 1 3.545 1.776 1.470 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 4.403 -0.173 0.709 0.00 0.00 -0.255 N ATOM 10 H LIG 1 4.983 -0.198 1.536 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 4.672 -1.135 -0.232 0.00 0.00 +0.219 C ATOM 12 O LIG 1 5.565 -1.959 -0.055 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 3.809 -1.133 -1.470 0.00 0.00 +0.099 C ATOM 14 C LIG 1 3.337 0.269 -1.825 0.00 0.00 +0.045 C ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 -3.198 -0.288 0.312 0.00 0.00 +0.148 A ATOM 16 C LIG 1 -2.241 0.596 -0.215 0.00 0.00 +0.134 A ATOM 17 N LIG 1 -2.579 1.776 -0.821 0.00 0.00 -0.250 NA ATOM 18 C LIG 1 -3.888 2.085 -0.905 0.00 0.00 +0.112 A ATOM 19 C LIG 1 -4.895 1.277 -0.416 0.00 0.00 +0.023 A ATOM 20 C LIG 1 -4.543 0.077 0.199 0.00 0.00 +0.049 A BRANCH 15 22 ATOM 21 C LIG 1 -3.741 -2.328 1.440 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -2.768 -1.442 0.905 0.00 0.00 -0.493 OA ENDBRANCH 15 22 ENDBRANCH 1 16 TORSDOF 3