REMARK Name = LIG001724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.262 0.481 -0.565 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.687 -0.722 -0.032 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.819 -1.076 0.228 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.486 -1.524 0.224 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.369 -0.748 -0.086 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -0.087 -1.258 0.056 0.00 0.00 +0.038 A ATOM 7 C LIG 1 0.024 -2.565 0.564 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -1.113 -3.337 0.876 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -2.393 -2.815 0.704 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.810 0.599 -0.554 0.00 0.00 +0.146 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.124 1.642 0.296 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.949 1.617 -0.062 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.978 2.210 0.701 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.294 2.585 1.584 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -4.622 2.219 0.499 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -3.861 2.638 1.373 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -4.108 1.642 -0.820 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -5.199 1.449 -1.870 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -6.513 0.919 -1.325 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 N LIG 1 1.027 -0.436 -0.198 0.00 0.00 -0.299 N ATOM 21 H LIG 1 1.143 0.256 0.542 0.00 0.00 +0.154 HD BRANCH 20 22 ATOM 22 C LIG 1 2.329 -0.846 -0.535 0.00 0.00 +0.127 A ATOM 23 N LIG 1 3.333 -0.193 0.073 0.00 0.00 -0.213 NA ATOM 24 C LIG 1 4.591 -0.552 -0.253 0.00 0.00 +0.162 A ATOM 25 N LIG 1 4.899 -1.507 -1.150 0.00 0.00 -0.236 NA ATOM 26 C LIG 1 3.866 -2.120 -1.750 0.00 0.00 +0.116 A ATOM 27 C LIG 1 2.554 -1.824 -1.481 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 C LIG 1 5.705 0.150 0.420 0.00 0.00 +0.019 A ATOM 29 C LIG 1 5.470 1.161 1.376 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.524 1.825 2.013 0.00 0.00 +0.039 A ATOM 31 C LIG 1 7.832 1.487 1.702 0.00 0.00 +0.123 A ATOM 32 F LIG 1 8.842 2.122 2.311 0.00 0.00 -0.205 F ATOM 33 C LIG 1 8.107 0.500 0.768 0.00 0.00 +0.039 A ATOM 34 C LIG 1 7.051 -0.163 0.133 0.00 0.00 +0.014 A ENDBRANCH 24 28 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 4