REMARK Name = LIG001226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.869 -1.631 -0.923 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -2.234 -1.790 -1.239 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.187 -1.468 -0.286 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -4.675 -1.516 -0.371 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -5.086 -1.141 0.975 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.010 -0.733 1.749 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.020 -0.234 2.857 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.799 -0.995 0.964 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.476 -0.821 1.316 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -0.509 -1.146 0.360 0.00 0.00 +0.009 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.481 -0.845 1.286 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.811 0.631 1.010 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.266 1.295 0.129 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.858 1.159 1.730 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.099 2.117 1.520 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.690 0.509 2.607 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.684 1.065 3.065 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.372 -0.939 2.898 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.891 -1.230 2.707 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 22 ATOM 20 C LIG 1 2.090 -1.286 -3.267 0.00 0.00 +0.121 A ATOM 21 C LIG 1 1.103 -0.986 -2.325 0.00 0.00 +0.054 A ATOM 22 C LIG 1 0.169 -1.957 -1.915 0.00 0.00 -0.014 A ATOM 23 C LIG 1 0.249 -3.241 -2.476 0.00 0.00 +0.009 A ATOM 24 C LIG 1 1.232 -3.548 -3.416 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.147 -2.572 -3.807 0.00 0.00 +0.045 A BRANCH 20 26 ATOM 26 O LIG 1 3.050 -0.435 -3.739 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 3.082 0.908 -3.256 0.00 0.00 +0.248 C BRANCH 27 28 ATOM 28 C LIG 1 3.861 1.008 -1.945 0.00 0.00 +0.148 C BRANCH 28 30 ATOM 29 C LIG 1 4.759 2.777 -0.436 0.00 0.00 +0.401 C ATOM 30 N LIG 1 3.933 2.366 -1.443 0.00 0.00 -0.278 N ATOM 31 H LIG 1 3.166 3.007 -1.601 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 4.640 3.886 0.063 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 5.663 1.835 -0.087 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 7.454 0.792 1.051 0.00 0.00 +0.055 C ATOM 35 C LIG 1 6.625 2.083 0.969 0.00 0.00 +0.107 C ATOM 36 C LIG 1 5.927 2.302 2.316 0.00 0.00 +0.055 C ATOM 37 C LIG 1 7.560 3.243 0.612 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 22 TORSDOF 8