REMARK Name = LIG000559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.431 -0.327 -0.626 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.522 -0.976 -0.189 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.307 -2.290 -0.037 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.133 -2.977 -0.281 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.288 -4.325 -0.028 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.534 -4.446 0.380 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.042 -2.218 -0.735 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.191 -3.242 0.392 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -0.239 -0.884 -0.910 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.572 -3.008 0.791 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.800 -3.358 2.261 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.553 -3.749 -0.117 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -1.467 1.052 -0.823 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -0.480 1.299 -0.860 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -2.249 1.797 0.173 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -2.175 4.028 1.470 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -1.552 3.162 0.386 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.704 1.961 -0.321 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.578 2.332 0.744 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -5.473 2.371 0.365 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 1.201 -2.810 -0.988 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.084 -3.817 -1.069 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.002 -2.197 -2.032 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.895 -1.105 -1.488 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.783 0.209 -1.956 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.622 1.217 -1.465 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.598 0.948 -0.488 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.703 -0.379 -0.034 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.866 -1.389 -0.520 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.486 2.000 0.048 0.00 0.00 +0.071 A ATOM 31 N LIG 1 6.738 1.600 0.393 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 7.588 2.527 0.886 0.00 0.00 +0.111 A ATOM 33 C LIG 1 7.257 3.857 1.065 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.975 4.262 0.721 0.00 0.00 +0.004 A ATOM 35 C LIG 1 5.078 3.326 0.208 0.00 0.00 +0.028 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10