REMARK Name = LIG000819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.138 1.670 0.339 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -4.314 0.940 0.347 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.805 -0.053 1.344 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -6.120 -0.408 0.824 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -6.365 0.171 -0.407 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -7.304 -0.014 -1.155 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -5.234 1.061 -0.692 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -5.034 1.892 -1.775 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.851 2.628 -1.799 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.910 2.517 -0.752 0.00 0.00 +0.046 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.921 -1.454 1.449 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.879 -2.730 0.608 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.835 -3.351 0.408 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.055 -3.137 0.032 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.001 -3.970 -0.537 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.266 -2.496 0.019 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.221 -2.979 -0.588 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -9.367 -1.182 0.751 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -8.335 -1.044 1.855 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 O LIG 1 -2.308 1.466 1.402 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.151 2.298 1.536 0.00 0.00 +0.264 C BRANCH 21 25 ATOM 22 C LIG 1 2.288 0.965 -0.744 0.00 0.00 -0.033 A ATOM 23 C LIG 1 2.073 2.328 -0.501 0.00 0.00 +0.005 A ATOM 24 C LIG 1 0.960 2.752 0.230 0.00 0.00 +0.007 A ATOM 25 C LIG 1 0.031 1.823 0.721 0.00 0.00 -0.010 A ATOM 26 C LIG 1 0.255 0.460 0.490 0.00 0.00 +0.007 A ATOM 27 C LIG 1 1.367 0.036 -0.241 0.00 0.00 +0.005 A BRANCH 22 28 ATOM 28 C LIG 1 3.486 0.500 -1.545 0.00 0.00 +0.119 C BRANCH 28 32 ATOM 29 N LIG 1 7.103 -1.239 0.133 0.00 0.00 -0.297 NA ATOM 30 C LIG 1 6.072 -0.658 1.027 0.00 0.00 +0.100 C ATOM 31 C LIG 1 5.050 0.263 0.318 0.00 0.00 +0.100 C ATOM 32 N LIG 1 4.366 -0.414 -0.802 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 5.354 -1.031 -1.708 0.00 0.00 +0.100 C ATOM 34 C LIG 1 6.368 -1.926 -0.956 0.00 0.00 +0.100 C BRANCH 29 36 ATOM 35 C LIG 1 9.152 -0.896 -1.263 0.00 0.00 +0.024 C ATOM 36 C LIG 1 8.095 -0.248 -0.352 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.846 0.424 0.811 0.00 0.00 +0.024 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7