REMARK Name = LIG001694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.790 -0.166 -0.647 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -4.268 -1.412 -0.508 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.298 -2.337 -0.515 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.939 -2.115 -0.645 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.238 -3.301 -0.586 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.161 -4.229 -0.446 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.528 -0.779 -0.793 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.424 -3.695 -0.399 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.494 0.181 -0.787 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.654 -4.461 -0.256 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.568 -4.316 -1.472 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.389 -4.131 1.043 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.763 0.825 -0.660 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.610 0.349 -0.364 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.455 2.061 0.080 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.550 3.667 1.756 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.757 2.530 0.764 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.919 3.131 -0.901 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -2.567 2.882 -1.278 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -2.497 1.911 -1.418 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 -0.182 -0.448 -0.951 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.411 -1.229 -0.676 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.218 0.841 -0.421 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.727 0.916 -0.397 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.442 1.176 -1.572 0.00 0.00 +0.005 A ATOM 26 C LIG 1 3.838 1.227 -1.559 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.554 1.015 -0.372 0.00 0.00 -0.044 A ATOM 28 C LIG 1 3.835 0.739 0.800 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.438 0.688 0.788 0.00 0.00 +0.005 A BRANCH 27 30 ATOM 30 C LIG 1 6.073 1.067 -0.388 0.00 0.00 +0.019 C ATOM 31 C LIG 1 6.673 -0.343 -0.226 0.00 0.00 +0.008 C ATOM 32 C LIG 1 8.162 -0.269 0.090 0.00 0.00 +0.001 C ATOM 33 C LIG 1 8.436 0.460 1.406 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.325 1.426 1.819 0.00 0.00 +0.001 C ATOM 35 C LIG 1 6.657 2.087 0.616 0.00 0.00 +0.008 C ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10