REMARK Name = LIG000859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.759 -2.319 0.210 0.00 0.00 -0.030 A ATOM 2 C LIG 1 1.435 -1.805 1.332 0.00 0.00 +0.011 A ATOM 3 C LIG 1 2.552 -1.012 1.125 0.00 0.00 -0.018 A ATOM 4 C LIG 1 3.463 -0.369 2.115 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.373 0.392 1.270 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.181 0.114 -0.076 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.856 0.467 -1.023 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.987 -0.733 -0.169 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.348 -1.216 -1.293 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.220 -2.014 -1.094 0.00 0.00 +0.006 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.577 1.009 1.817 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.754 0.020 1.825 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.618 -1.193 1.983 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.011 0.577 1.771 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.783 -0.074 1.813 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 8.344 1.907 1.812 0.00 0.00 +0.219 C ATOM 17 O LIG 1 9.513 2.263 1.929 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.200 2.894 1.804 0.00 0.00 +0.098 C ATOM 19 C LIG 1 5.973 2.311 1.121 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.476 -3.171 0.383 0.00 0.00 +0.139 C BRANCH 20 22 ATOM 21 C LIG 1 -2.371 -2.389 -0.973 0.00 0.00 +0.244 C ATOM 22 N LIG 1 -1.672 -2.376 0.208 0.00 0.00 -0.307 N ATOM 23 H LIG 1 -1.828 -1.647 0.886 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -2.083 -3.125 -1.912 0.00 0.00 -0.270 OA BRANCH 21 29 ATOM 25 C LIG 1 -6.858 1.089 -1.277 0.00 0.00 +0.162 A ATOM 26 C LIG 1 -5.763 0.210 -1.201 0.00 0.00 +0.169 A ATOM 27 O LIG 1 -5.424 -0.274 0.038 0.00 0.00 -0.483 OA ATOM 28 C LIG 1 -4.118 -0.848 0.181 0.00 0.00 +0.270 C ATOM 29 C LIG 1 -3.509 -1.431 -1.055 0.00 0.00 +0.052 C ATOM 30 C LIG 1 -3.979 -1.130 -2.274 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -5.088 -0.188 -2.363 0.00 0.00 +0.021 A ATOM 32 C LIG 1 -5.501 0.301 -3.604 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -6.577 1.185 -3.684 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.253 1.578 -2.526 0.00 0.00 +0.049 A BRANCH 25 36 ATOM 35 C LIG 1 -8.635 2.204 -0.141 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -7.456 1.415 -0.086 0.00 0.00 -0.491 OA ENDBRANCH 25 36 ENDBRANCH 21 29 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5