REMARK Name = LIG000262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.166 -1.476 0.406 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.275 -2.785 0.670 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -1.082 -3.359 0.886 0.00 0.00 +0.167 A ATOM 4 C LIG 1 0.156 -2.741 0.862 0.00 0.00 +0.148 A ATOM 5 N LIG 1 1.165 -3.647 1.111 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 0.546 -4.793 1.304 0.00 0.00 +0.201 A ATOM 7 C LIG 1 0.170 -1.363 0.588 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -0.815 -4.670 1.181 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.026 -0.755 0.365 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.772 -5.755 1.342 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -2.538 -6.043 0.051 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -2.719 -5.518 2.518 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.368 -0.801 0.215 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.077 -1.528 0.253 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.402 -0.054 -1.030 0.00 0.00 +0.161 C BRANCH 15 19 ATOM 16 C LIG 1 -5.359 4.620 -0.268 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -5.115 3.190 -0.584 0.00 0.00 +0.087 A ATOM 18 C LIG 1 -3.944 2.419 -0.413 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -4.251 1.159 -0.903 0.00 0.00 +0.082 A ATOM 20 N LIG 1 -5.561 1.235 -1.290 0.00 0.00 -0.268 N ATOM 21 C LIG 1 -6.379 0.184 -1.850 0.00 0.00 +0.172 C ATOM 22 N LIG 1 -6.103 2.453 -1.114 0.00 0.00 -0.174 NA BRANCH 18 23 ATOM 23 S LIG 1 -2.433 2.931 0.229 0.00 0.00 +0.059 S ATOM 24 O LIG 1 -1.518 2.783 -0.879 0.00 0.00 -0.153 OA ATOM 25 O LIG 1 -2.691 4.196 0.874 0.00 0.00 -0.153 OA BRANCH 23 26 ATOM 26 N LIG 1 -1.976 1.841 1.413 0.00 0.00 -0.203 NA ATOM 27 H LIG 1 -1.465 1.044 1.007 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -2.767 1.511 1.963 0.00 0.00 +0.144 HD ENDBRANCH 23 26 ENDBRANCH 18 23 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 29 ATOM 29 N LIG 1 1.357 -0.631 0.568 0.00 0.00 -0.323 N ATOM 30 H LIG 1 2.162 -1.253 0.513 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 1.392 0.490 -0.353 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 C LIG 1 2.796 1.043 -0.399 0.00 0.00 -0.030 A ATOM 33 C LIG 1 3.258 1.890 0.615 0.00 0.00 +0.006 A ATOM 34 C LIG 1 4.565 2.390 0.588 0.00 0.00 +0.010 A ATOM 35 C LIG 1 5.455 2.061 -0.450 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.981 1.191 -1.449 0.00 0.00 +0.010 A ATOM 37 C LIG 1 3.675 0.688 -1.427 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 6.837 2.586 -0.500 0.00 0.00 +0.071 A ATOM 39 N LIG 1 7.756 1.778 -1.091 0.00 0.00 -0.255 NA ATOM 40 C LIG 1 9.034 2.212 -1.159 0.00 0.00 +0.111 A ATOM 41 C LIG 1 9.460 3.433 -0.670 0.00 0.00 +0.020 A ATOM 42 C LIG 1 8.518 4.261 -0.078 0.00 0.00 +0.004 A ATOM 43 C LIG 1 7.193 3.837 0.008 0.00 0.00 +0.028 A ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 29 TORSDOF 10