REMARK Name = LIG000017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.163 -0.094 -0.342 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.567 1.159 -0.077 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.550 2.030 -0.043 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.214 1.756 -0.255 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.449 2.897 -0.126 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.316 3.851 0.141 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.878 0.422 -0.543 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.601 3.375 0.203 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.892 -0.491 -0.575 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.802 4.153 0.471 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -3.737 4.847 1.831 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.080 5.154 -0.651 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.198 -1.007 -0.403 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.017 -0.465 -0.141 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.144 -2.301 0.291 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -2.561 -2.044 2.372 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.972 -2.172 1.818 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.281 -3.359 -0.425 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -1.884 -3.137 -0.330 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -1.761 -2.203 -0.613 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 0.446 0.061 -0.795 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.077 0.777 -0.438 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.829 -1.302 -0.481 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.337 -1.425 -0.519 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.056 -1.071 -1.671 0.00 0.00 +0.009 A ATOM 26 C LIG 1 4.450 -1.181 -1.711 0.00 0.00 +0.046 A ATOM 27 C LIG 1 5.146 -1.654 -0.599 0.00 0.00 +0.121 A ATOM 28 C LIG 1 4.434 -2.026 0.544 0.00 0.00 +0.046 A ATOM 29 C LIG 1 3.042 -1.912 0.588 0.00 0.00 +0.009 A BRANCH 27 30 ATOM 30 O LIG 1 6.502 -1.808 -0.505 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 7.288 -1.268 -1.574 0.00 0.00 +0.256 C BRANCH 31 32 ATOM 32 C LIG 1 8.757 -1.430 -1.192 0.00 0.00 +0.196 C BRANCH 32 33 ATOM 33 O LIG 1 9.053 -0.649 -0.035 0.00 0.00 -0.392 OA ATOM 34 H LIG 1 8.381 -0.895 0.628 0.00 0.00 +0.210 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 13