REMARK Name = LIG001633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.820 0.134 0.725 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.344 -0.394 1.305 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.561 -0.169 0.687 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.926 -0.628 1.069 0.00 0.00 +0.144 C ATOM 5 N LIG 1 3.771 0.014 0.070 0.00 0.00 -0.282 N ATOM 6 C LIG 1 3.021 0.639 -0.916 0.00 0.00 +0.248 C ATOM 7 O LIG 1 3.404 1.146 -1.952 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.619 0.568 -0.490 0.00 0.00 +0.042 A ATOM 9 C LIG 1 0.495 1.099 -1.090 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -0.739 0.878 -0.467 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.182 -0.332 -0.065 0.00 0.00 +0.163 C ATOM 12 C LIG 1 5.373 -1.530 -1.008 0.00 0.00 +0.240 C ATOM 13 O LIG 1 4.546 -2.432 -1.136 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 6.596 -1.617 -1.633 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.732 -2.424 -2.226 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.687 -0.801 -1.467 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.765 -1.074 -1.986 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.514 0.386 -0.548 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.064 0.839 -0.499 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 -1.961 -0.148 1.424 0.00 0.00 -0.488 OA BRANCH 20 23 ATOM 21 N LIG 1 -5.681 -0.344 1.087 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 -4.305 -0.676 1.480 0.00 0.00 +0.128 C ATOM 23 C LIG 1 -3.230 0.268 0.906 0.00 0.00 +0.187 C ATOM 24 C LIG 1 -3.529 1.714 1.328 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -5.027 2.010 1.426 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -5.862 1.027 0.608 0.00 0.00 +0.084 C BRANCH 21 28 ATOM 27 C LIG 1 -5.708 -1.579 -1.127 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -6.330 -1.353 0.248 0.00 0.00 +0.081 C ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 4