REMARK Name = LIG000057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.273 -1.023 -0.836 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.736 -0.352 0.231 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.404 0.945 0.203 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.679 1.599 -0.774 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.531 2.937 -0.468 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.158 3.087 0.680 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.233 0.819 -1.854 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.702 1.910 1.127 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.559 -0.502 -1.853 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.456 1.711 2.356 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -2.612 2.025 3.592 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.758 2.512 2.353 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -2.538 -2.378 -0.965 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.330 -2.620 -1.928 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.825 -2.857 -0.450 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.922 -5.084 0.257 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.741 -4.399 -0.413 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.995 -2.349 -1.325 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.253 -2.540 -0.684 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -6.927 -2.145 -1.263 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 -0.495 1.382 -2.904 0.00 0.00 -0.323 N ATOM 22 H LIG 1 -0.170 2.304 -2.615 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.553 0.539 -3.455 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.790 0.566 -2.586 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.002 -0.425 -1.619 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.134 -0.389 -0.798 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.080 0.636 -0.923 0.00 0.00 -0.022 A ATOM 28 C LIG 1 3.857 1.634 -1.883 0.00 0.00 +0.008 A ATOM 29 C LIG 1 2.725 1.602 -2.704 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.266 0.682 -0.041 0.00 0.00 -0.044 C ATOM 31 C LIG 1 5.045 0.454 1.437 0.00 0.00 +0.035 C ATOM 32 C LIG 1 6.226 0.915 2.296 0.00 0.00 +0.005 C ATOM 33 C LIG 1 7.547 0.435 1.708 0.00 0.00 +0.004 C ATOM 34 C LIG 1 7.742 0.959 0.285 0.00 0.00 +0.027 C ATOM 35 C LIG 1 6.493 0.912 -0.547 0.00 0.00 -0.023 C ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10