REMARK Name = LIG001803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.127 0.539 -0.178 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.184 1.886 -0.423 0.00 0.00 +0.148 A ATOM 3 N LIG 1 0.594 2.975 -0.756 0.00 0.00 -0.231 NA ATOM 4 C LIG 1 -0.256 3.976 -0.851 0.00 0.00 +0.201 A ATOM 5 N LIG 1 -1.544 3.584 -0.588 0.00 0.00 -0.312 N ATOM 6 C LIG 1 -1.514 2.244 -0.308 0.00 0.00 +0.167 A ATOM 7 N LIG 1 -2.542 1.446 0.012 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 -2.156 0.180 0.236 0.00 0.00 +0.219 A ATOM 9 N LIG 1 -0.896 -0.291 0.157 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.728 4.431 -0.598 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -2.988 5.019 -1.985 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -2.645 5.527 0.464 0.00 0.00 +0.030 C ENDBRANCH 5 10 BRANCH 1 13 ATOM 13 N LIG 1 1.436 0.058 -0.283 0.00 0.00 -0.323 N ATOM 14 H LIG 1 2.093 0.836 -0.276 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 1.758 -1.013 0.641 0.00 0.00 +0.138 C BRANCH 15 19 ATOM 16 C LIG 1 5.998 -1.884 0.348 0.00 0.00 -0.026 A ATOM 17 C LIG 1 5.469 -1.296 1.504 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.103 -1.010 1.601 0.00 0.00 +0.006 A ATOM 19 C LIG 1 3.235 -1.322 0.548 0.00 0.00 -0.030 A ATOM 20 C LIG 1 3.762 -1.920 -0.605 0.00 0.00 +0.006 A ATOM 21 C LIG 1 5.128 -2.203 -0.701 0.00 0.00 +0.008 A BRANCH 16 23 ATOM 22 C LIG 1 8.187 -2.152 -0.805 0.00 0.00 +0.009 C ATOM 23 C LIG 1 7.434 -2.192 0.303 0.00 0.00 +0.000 C ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 8 24 ATOM 24 N LIG 1 -3.192 -0.684 0.586 0.00 0.00 -0.308 N ATOM 25 H LIG 1 -4.035 -0.204 0.286 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 CA LIG 1 -3.051 -2.066 0.091 0.00 0.00 +0.098 C BRANCH 26 27 ATOM 27 C LIG 1 -4.471 -2.600 -0.200 0.00 0.00 +0.021 C ATOM 28 C LIG 1 -4.486 -3.997 -0.804 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -2.321 -2.907 1.163 0.00 0.00 +0.178 C BRANCH 29 30 ATOM 30 O LIG 1 -3.012 -2.828 2.412 0.00 0.00 -0.393 OA ATOM 31 H LIG 1 -3.179 -1.872 2.530 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 10