REMARK Name = LIG001935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.829 0.484 -0.907 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.237 -0.007 0.272 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.222 -0.429 1.036 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.879 -0.416 0.713 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.116 -0.922 1.746 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -0.989 -1.239 2.679 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.541 0.098 -0.550 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.277 -0.958 2.297 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.554 0.547 -1.337 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.463 -1.181 3.111 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.424 -2.182 2.470 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.169 0.127 3.469 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.755 0.968 -1.817 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -3.250 1.048 -2.695 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -5.067 0.320 -1.935 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -7.479 0.446 -1.067 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -6.021 0.815 -0.830 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.970 -1.218 -2.046 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.084 -1.750 -2.762 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -5.947 -2.711 -2.818 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 0.790 0.136 -0.987 0.00 0.00 -0.327 N ATOM 22 H LIG 1 1.401 0.011 -0.182 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.110 1.255 -1.860 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 2.600 1.245 -2.214 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 3.492 1.665 -1.039 0.00 0.00 +0.002 C BRANCH 25 26 ATOM 26 C LIG 1 4.970 1.659 -1.438 0.00 0.00 +0.000 C BRANCH 26 27 ATOM 27 C LIG 1 5.904 2.153 -0.327 0.00 0.00 +0.005 C BRANCH 27 28 ATOM 28 C LIG 1 5.910 1.308 0.953 0.00 0.00 +0.035 C BRANCH 28 29 ATOM 29 C LIG 1 6.380 -0.112 0.749 0.00 0.00 -0.047 A ATOM 30 C LIG 1 5.478 -1.180 0.844 0.00 0.00 +0.003 A ATOM 31 C LIG 1 5.912 -2.492 0.645 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.249 -2.749 0.352 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.155 -1.695 0.259 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.723 -0.382 0.456 0.00 0.00 +0.003 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 14