REMARK Name = LIG000061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.869 0.230 0.667 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.434 1.377 0.259 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.530 2.285 -0.134 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.155 2.136 -0.151 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.541 3.272 -0.639 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.530 4.103 -0.892 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.650 0.904 0.293 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.753 3.552 -0.602 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.548 -0.035 0.692 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.036 4.219 -0.771 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.919 3.517 -1.803 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.766 4.410 0.558 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.773 -0.740 1.087 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.671 -0.441 0.724 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.392 -2.127 0.807 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.352 -2.629 -0.760 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.665 -2.967 0.559 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.605 -2.705 2.005 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -2.143 -4.027 1.724 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -1.609 -4.299 2.490 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 0.724 0.644 0.331 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.223 1.317 -0.247 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.083 -0.743 0.113 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.588 -0.858 0.033 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.373 -0.672 1.178 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.767 -0.770 1.110 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.415 -1.050 -0.103 0.00 0.00 -0.016 A ATOM 28 C LIG 1 4.620 -1.226 -1.247 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.226 -1.130 -1.183 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.880 -1.153 -0.174 0.00 0.00 +0.000 A ATOM 31 C LIG 1 7.605 -1.980 0.685 0.00 0.00 +0.119 A ATOM 32 N LIG 1 8.954 -2.119 0.675 0.00 0.00 -0.263 NA ATOM 33 C LIG 1 9.627 -1.396 -0.243 0.00 0.00 +0.111 A ATOM 34 C LIG 1 9.016 -0.545 -1.147 0.00 0.00 +0.020 A ATOM 35 C LIG 1 7.628 -0.425 -1.109 0.00 0.00 +0.011 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10