REMARK Name = LIG001426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.038 2.541 1.036 0.00 0.00 +0.112 A ATOM 2 C LIG 1 -2.080 2.183 0.192 0.00 0.00 +0.135 A ATOM 3 N LIG 1 -3.186 2.858 0.692 0.00 0.00 -0.287 N ATOM 4 C LIG 1 -2.753 3.548 1.825 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.722 4.314 2.535 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.992 4.370 2.089 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -5.405 3.666 0.886 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -4.500 2.931 0.218 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.466 3.382 2.037 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.061 -0.604 0.356 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.309 0.747 0.558 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.378 1.325 0.575 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.005 1.397 0.730 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.015 0.438 0.533 0.00 0.00 -0.017 A ATOM 15 C LIG 1 0.677 0.783 0.628 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.347 2.119 0.922 0.00 0.00 +0.004 A ATOM 17 C LIG 1 1.372 3.069 1.135 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.720 2.714 1.031 0.00 0.00 +0.014 A ATOM 19 C LIG 1 2.638 -0.881 0.221 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.604 -2.915 -1.736 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 7.593 -2.451 -1.217 0.00 0.00 +0.219 C ATOM 22 N LIG 1 6.640 -1.814 -1.971 0.00 0.00 -0.255 N ATOM 23 H LIG 1 6.842 -1.726 -2.957 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 5.394 -1.385 -1.573 0.00 0.00 +0.240 C ATOM 25 O LIG 1 4.580 -0.986 -2.405 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 5.064 -1.567 -0.083 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.342 -1.554 0.756 0.00 0.00 +0.041 C ATOM 28 C LIG 1 7.287 -2.633 0.252 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.113 1.452 -0.961 0.00 0.00 -0.299 N ATOM 30 H LIG 1 -1.230 1.400 -1.473 0.00 0.00 +0.154 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.791 0.210 -1.107 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -3.515 -0.404 -0.076 0.00 0.00 +0.072 A ATOM 33 C LIG 1 -4.191 -1.605 -0.300 0.00 0.00 +0.164 A ATOM 34 O LIG 1 -4.845 -2.152 0.775 0.00 0.00 -0.485 OA ATOM 35 C LIG 1 -5.205 -3.517 0.530 0.00 0.00 +0.270 C ATOM 36 C LIG 1 -5.816 -3.670 -0.854 0.00 0.00 +0.270 C ATOM 37 O LIG 1 -4.857 -3.347 -1.867 0.00 0.00 -0.485 OA ATOM 38 C LIG 1 -4.188 -2.188 -1.569 0.00 0.00 +0.162 A ATOM 39 C LIG 1 -3.476 -1.591 -2.604 0.00 0.00 +0.051 A ATOM 40 C LIG 1 -2.790 -0.395 -2.375 0.00 0.00 +0.027 A ENDBRANCH 29 31 ENDBRANCH 2 29 TORSDOF 4