REMARK Name = LIG001934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.171 0.991 -0.093 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -1.883 2.087 0.423 0.00 0.00 +0.148 A ATOM 3 N LIG 1 -1.488 3.350 0.817 0.00 0.00 -0.231 NA ATOM 4 C LIG 1 -2.596 3.937 1.215 0.00 0.00 +0.201 A ATOM 5 N LIG 1 -3.686 3.112 1.101 0.00 0.00 -0.312 N ATOM 6 C LIG 1 -3.244 1.919 0.595 0.00 0.00 +0.167 A ATOM 7 N LIG 1 -3.963 0.821 0.325 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 -3.206 -0.181 -0.151 0.00 0.00 +0.219 A ATOM 9 N LIG 1 -1.873 -0.146 -0.355 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.061 3.435 1.453 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.604 4.584 0.603 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.205 3.731 2.946 0.00 0.00 +0.030 C ENDBRANCH 5 10 BRANCH 1 13 ATOM 13 N LIG 1 0.204 1.067 -0.336 0.00 0.00 -0.327 N ATOM 14 H LIG 1 0.605 1.845 0.186 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 0.933 -0.188 -0.286 0.00 0.00 +0.103 C BRANCH 15 16 ATOM 16 C LIG 1 2.429 0.083 -0.443 0.00 0.00 +0.023 C BRANCH 16 17 ATOM 17 C LIG 1 3.225 -1.222 -0.432 0.00 0.00 +0.036 C BRANCH 17 20 ATOM 18 C LIG 1 6.879 -0.552 0.463 0.00 0.00 -0.047 A ATOM 19 C LIG 1 5.505 -0.806 0.576 0.00 0.00 +0.007 A ATOM 20 C LIG 1 4.706 -0.971 -0.565 0.00 0.00 -0.047 A ATOM 21 C LIG 1 5.298 -0.872 -1.830 0.00 0.00 +0.003 A ATOM 22 C LIG 1 6.665 -0.626 -1.952 0.00 0.00 +0.001 A ATOM 23 C LIG 1 7.453 -0.470 -0.812 0.00 0.00 +0.003 A BRANCH 18 25 ATOM 24 C LIG 1 8.280 -1.733 2.175 0.00 0.00 +0.009 C ATOM 25 C LIG 1 7.731 -0.398 1.696 0.00 0.00 +0.032 C ENDBRANCH 18 25 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 8 26 ATOM 26 N LIG 1 -3.898 -1.355 -0.413 0.00 0.00 -0.308 N ATOM 27 H LIG 1 -4.878 -1.088 -0.411 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 CA LIG 1 -3.459 -2.148 -1.574 0.00 0.00 +0.098 C BRANCH 28 29 ATOM 29 C LIG 1 -4.722 -2.695 -2.273 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -4.439 -3.366 -3.609 0.00 0.00 +0.006 C ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -2.541 -3.297 -1.089 0.00 0.00 +0.178 C BRANCH 31 32 ATOM 32 O LIG 1 -1.256 -2.830 -0.678 0.00 0.00 -0.393 OA ATOM 33 H LIG 1 -1.397 -1.919 -0.339 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 26 28 ENDBRANCH 8 26 TORSDOF 12