REMARK Name = LIG000542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.881 -0.403 1.232 0.00 0.00 -0.299 N ATOM 2 H LIG 1 2.490 0.406 1.284 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 5.974 -1.059 -0.343 0.00 0.00 -0.282 N ATOM 4 C LIG 1 5.630 -2.170 -1.096 0.00 0.00 +0.248 C ATOM 5 O LIG 1 6.348 -2.832 -1.820 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 4.206 -2.421 -0.856 0.00 0.00 +0.043 A ATOM 7 C LIG 1 3.709 -1.408 -0.028 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.370 -1.389 0.350 0.00 0.00 +0.038 A ATOM 9 C LIG 1 1.587 -2.475 -0.085 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.102 -3.489 -0.920 0.00 0.00 +0.003 A ATOM 11 C LIG 1 3.432 -3.463 -1.324 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.814 -0.456 0.297 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 9.818 2.835 -0.320 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.137 1.819 -0.418 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.269 1.646 -1.466 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.188 2.450 -2.076 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.161 0.830 -1.450 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.183 1.099 -2.143 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.253 -0.379 -0.505 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.842 0.079 0.826 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.213 0.693 0.587 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.541 0.032 1.409 0.00 0.00 +0.128 A ATOM 23 N LIG 1 -0.421 -0.307 0.536 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -1.672 0.134 0.748 0.00 0.00 +0.221 A ATOM 25 N LIG 1 -2.011 0.895 1.796 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 -1.037 1.216 2.661 0.00 0.00 +0.118 A ATOM 27 C LIG 1 0.265 0.812 2.513 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 N LIG 1 -2.596 -0.256 -0.216 0.00 0.00 -0.284 N ATOM 29 H LIG 1 -2.119 -0.796 -0.923 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.967 -0.039 -0.401 0.00 0.00 +0.034 A ATOM 31 C LIG 1 -4.764 0.687 0.492 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -6.117 0.846 0.218 0.00 0.00 -0.034 A ATOM 33 C LIG 1 -7.152 1.587 1.040 0.00 0.00 +0.071 C ATOM 34 C LIG 1 -8.407 1.390 0.214 0.00 0.00 -0.035 A ATOM 35 C LIG 1 -8.118 0.628 -0.939 0.00 0.00 -0.014 A ATOM 36 C LIG 1 -9.119 0.322 -1.846 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -10.414 0.785 -1.590 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -10.694 1.543 -0.440 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -9.686 1.852 0.476 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -6.710 0.295 -0.934 0.00 0.00 -0.014 A ATOM 41 C LIG 1 -5.945 -0.426 -1.829 0.00 0.00 +0.010 A ATOM 42 C LIG 1 -4.579 -0.588 -1.555 0.00 0.00 +0.024 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5