REMARK Name = LIG001887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.087 -0.736 -3.944 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.310 -0.266 -2.893 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -0.221 -0.967 -2.393 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.878 -0.081 -4.618 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.320 1.026 -2.326 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -0.518 1.301 -1.252 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -1.501 0.432 -0.533 0.00 0.00 +0.146 C ATOM 8 N LIG 1 -2.160 1.359 0.375 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -1.538 2.596 0.392 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.783 3.546 1.110 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -0.527 2.573 -0.670 0.00 0.00 +0.043 A ATOM 12 C LIG 1 0.279 3.606 -1.100 0.00 0.00 +0.013 A ATOM 13 C LIG 1 1.127 3.341 -2.170 0.00 0.00 +0.003 A ATOM 14 C LIG 1 1.141 2.069 -2.780 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 -3.125 0.956 1.391 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -2.494 0.126 2.520 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -1.287 0.021 2.714 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -3.383 -0.524 3.345 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -2.953 -1.089 4.066 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -4.665 -0.887 3.020 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -5.250 -1.776 3.632 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -5.311 -0.126 1.887 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -4.299 0.183 0.795 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 0.901 -2.244 -4.213 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.851 -3.061 -3.427 0.00 0.00 -0.320 N ATOM 26 H LIG 1 2.719 -2.513 -3.373 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 1.537 -2.300 0.032 0.00 0.00 +0.162 A ATOM 28 N LIG 1 1.977 -2.287 -1.240 0.00 0.00 -0.213 NA ATOM 29 C LIG 1 1.448 -3.170 -2.090 0.00 0.00 +0.123 A ATOM 30 C LIG 1 0.494 -4.085 -1.709 0.00 0.00 +0.063 A ATOM 31 C LIG 1 0.119 -4.047 -0.388 0.00 0.00 +0.116 A ATOM 32 N LIG 1 0.602 -3.154 0.492 0.00 0.00 -0.236 NA BRANCH 27 35 ATOM 33 C LIG 1 3.243 0.866 1.285 0.00 0.00 +0.121 A ATOM 34 C LIG 1 2.798 -0.167 0.451 0.00 0.00 +0.057 A ATOM 35 C LIG 1 2.033 -1.247 0.936 0.00 0.00 +0.023 A ATOM 36 C LIG 1 1.741 -1.255 2.309 0.00 0.00 +0.012 A ATOM 37 C LIG 1 2.187 -0.233 3.153 0.00 0.00 +0.004 A ATOM 38 C LIG 1 2.936 0.826 2.642 0.00 0.00 +0.045 A BRANCH 33 40 ATOM 39 C LIG 1 4.401 2.935 1.441 0.00 0.00 +0.277 C ATOM 40 O LIG 1 3.959 1.842 0.648 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 27 35 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7