REMARK Name = LIG000841 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.684 -0.919 -1.122 0.00 0.00 +0.160 A ATOM 2 C LIG 1 -2.659 0.019 -1.450 0.00 0.00 +0.026 A ATOM 3 S LIG 1 -2.048 1.609 -1.186 0.00 0.00 -0.056 S ATOM 4 C LIG 1 -0.582 0.946 -0.648 0.00 0.00 +0.165 A ATOM 5 N LIG 1 -0.492 -0.355 -0.647 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 0.347 1.860 -0.257 0.00 0.00 -0.263 N ATOM 7 H LIG 1 0.083 2.835 -0.269 0.00 0.00 +0.157 HD ATOM 8 C LIG 1 1.602 1.581 0.201 0.00 0.00 +0.239 C ATOM 9 O LIG 1 2.279 2.522 0.627 0.00 0.00 -0.273 OA BRANCH 8 10 ATOM 10 C LIG 1 2.111 0.134 0.211 0.00 0.00 +0.222 C BRANCH 10 11 ATOM 11 N LIG 1 3.522 0.098 0.572 0.00 0.00 -0.290 N ATOM 12 C LIG 1 4.467 0.256 -0.414 0.00 0.00 +0.257 A ATOM 13 O LIG 1 4.189 0.400 -1.604 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 5.887 0.232 0.038 0.00 0.00 +0.035 A ATOM 15 C LIG 1 6.907 0.424 -1.042 0.00 0.00 +0.051 C ATOM 16 C LIG 1 6.117 0.067 1.355 0.00 0.00 +0.048 A ATOM 17 C LIG 1 7.501 -0.012 1.947 0.00 0.00 +0.066 C ATOM 18 N LIG 1 5.120 -0.057 2.293 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 3.901 -0.024 1.878 0.00 0.00 +0.202 A ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 6 BRANCH 1 20 ATOM 20 C LIG 1 -1.837 -2.376 -1.237 0.00 0.00 +0.358 C ATOM 21 O LIG 1 -2.852 -2.926 -1.651 0.00 0.00 -0.243 OA BRANCH 20 23 ATOM 22 C LIG 1 -0.817 -4.467 -0.926 0.00 0.00 +0.280 C ATOM 23 O LIG 1 -0.720 -3.047 -0.824 0.00 0.00 -0.463 OA ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -4.059 -0.166 -1.970 0.00 0.00 +0.049 C BRANCH 24 25 ATOM 25 C LIG 1 -5.058 -0.577 -0.879 0.00 0.00 +0.040 C BRANCH 25 26 ATOM 26 C LIG 1 -5.312 0.502 0.147 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -6.096 1.619 -0.173 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -6.312 2.625 0.769 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.749 2.524 2.040 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.971 1.417 2.370 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.753 0.409 1.429 0.00 0.00 +0.003 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8