REMARK Name = LIG000237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.678 0.304 0.364 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -4.318 -0.874 0.447 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.479 -1.902 0.634 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -2.102 -1.846 0.737 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.568 -3.107 0.903 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.610 -3.911 0.923 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.516 -0.573 0.640 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.789 -3.229 0.765 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.345 0.486 0.444 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -5.127 -3.802 0.742 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.473 -4.480 2.067 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.309 -4.758 -0.437 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.513 1.392 0.174 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.409 1.013 -0.114 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.048 2.538 -0.613 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -3.477 3.315 -2.984 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.711 2.129 -2.060 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.922 3.325 0.092 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.062 4.730 -0.140 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.796 5.033 0.423 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 -0.135 -0.397 0.747 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.349 -1.283 0.616 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.404 0.721 -0.000 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.913 0.653 0.029 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.619 1.060 1.166 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.015 0.986 1.200 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.754 0.491 0.111 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.030 0.083 -1.024 0.00 0.00 +0.010 A ATOM 29 C LIG 1 2.632 0.157 -1.065 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.230 0.414 0.174 0.00 0.00 +0.071 A ATOM 31 N LIG 1 6.839 1.375 0.918 0.00 0.00 -0.252 NA ATOM 32 C LIG 1 8.190 1.365 1.015 0.00 0.00 +0.039 A ATOM 33 C LIG 1 8.825 2.444 1.839 0.00 0.00 +0.065 C ATOM 34 C LIG 1 8.978 0.408 0.389 0.00 0.00 +0.023 A ATOM 35 C LIG 1 8.354 -0.579 -0.362 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.966 -0.578 -0.472 0.00 0.00 +0.028 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10