REMARK Name = LIG000733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.594 -3.037 -0.256 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.228 -2.545 0.554 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.307 -4.200 0.010 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -1.852 -4.928 -0.816 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 1.975 0.393 -1.240 0.00 0.00 -0.282 N ATOM 6 C LIG 1 1.748 0.329 -2.603 0.00 0.00 +0.248 C ATOM 7 O LIG 1 2.226 1.027 -3.477 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.794 -0.764 -2.819 0.00 0.00 +0.043 A ATOM 9 C LIG 1 0.521 -1.367 -1.587 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -0.345 -2.448 -1.511 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -0.924 -2.892 -2.711 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -0.645 -2.263 -3.942 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.232 -1.186 -4.005 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.329 -0.698 -0.526 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 5.466 2.163 2.510 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.816 2.014 1.478 0.00 0.00 +0.219 C ATOM 17 N LIG 1 5.159 1.062 0.554 0.00 0.00 -0.255 N ATOM 18 H LIG 1 5.944 0.491 0.827 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 4.267 0.426 -0.275 0.00 0.00 +0.240 C ATOM 20 O LIG 1 4.502 -0.720 -0.659 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 3.009 1.230 -0.649 0.00 0.00 +0.163 C ATOM 22 C LIG 1 2.501 1.979 0.580 0.00 0.00 +0.041 C ATOM 23 C LIG 1 3.603 2.848 1.153 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 -1.332 -4.556 1.509 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 -1.988 -3.514 2.312 0.00 0.00 -0.320 N ATOM 26 H LIG 1 -2.637 -2.984 1.735 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.156 -2.571 2.905 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -1.298 -1.321 2.446 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 -0.581 -0.348 3.022 0.00 0.00 +0.221 A ATOM 30 N LIG 1 0.304 -0.578 4.004 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 0.440 -1.846 4.425 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -0.264 -2.895 3.899 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 -0.691 0.980 2.624 0.00 0.00 -0.284 N ATOM 34 H LIG 1 -0.099 1.545 3.216 0.00 0.00 +0.155 HD BRANCH 33 35 ATOM 35 C LIG 1 -1.288 1.617 1.526 0.00 0.00 +0.034 A ATOM 36 C LIG 1 -1.918 0.930 0.482 0.00 0.00 +0.027 A ATOM 37 C LIG 1 -2.456 1.643 -0.579 0.00 0.00 -0.042 A ATOM 38 C LIG 1 -3.093 1.098 -1.818 0.00 0.00 +0.036 C ATOM 39 C LIG 1 -3.824 2.342 -2.346 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -3.015 3.562 -1.876 0.00 0.00 +0.036 C ATOM 41 C LIG 1 -2.408 3.038 -0.615 0.00 0.00 -0.044 A ATOM 42 C LIG 1 -1.823 3.747 0.414 0.00 0.00 +0.006 A ATOM 43 C LIG 1 -1.272 3.030 1.483 0.00 0.00 +0.023 A ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7