REMARK Name = LIG001542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.564 0.639 -0.353 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.297 -0.281 0.292 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.544 -1.247 0.834 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.168 -1.365 0.771 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.738 -2.484 1.454 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.839 -3.037 1.918 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.483 -0.363 0.066 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.958 -2.324 1.571 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.223 0.639 -0.482 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.334 -2.641 1.923 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.773 -3.980 1.330 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.551 -2.604 3.436 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.193 1.727 -0.955 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.474 2.108 -1.566 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.462 1.415 -1.632 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.719 3.825 -2.579 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.616 2.333 -2.866 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.640 1.555 -0.642 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -5.505 2.731 0.157 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.547 2.775 0.357 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 0.908 -0.391 -0.081 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.314 -1.039 0.592 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.536 0.916 -0.114 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 3.037 0.745 -0.106 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.699 0.236 -1.230 0.00 0.00 +0.006 A ATOM 26 C LIG 1 5.089 0.070 -1.227 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.866 0.396 -0.101 0.00 0.00 +0.003 A ATOM 28 C LIG 1 5.183 0.908 1.019 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.793 1.076 1.022 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.336 0.232 -0.074 0.00 0.00 +0.106 A ATOM 31 C LIG 1 8.023 -0.757 -0.784 0.00 0.00 +0.149 A ATOM 32 F LIG 1 7.383 -1.660 -1.541 0.00 0.00 -0.203 F ATOM 33 C LIG 1 9.410 -0.834 -0.700 0.00 0.00 +0.042 A ATOM 34 C LIG 1 10.094 0.076 0.094 0.00 0.00 +0.023 A ATOM 35 C LIG 1 9.356 1.026 0.778 0.00 0.00 +0.111 A ATOM 36 N LIG 1 8.008 1.121 0.715 0.00 0.00 -0.252 NA ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10