REMARK Name = LIG000369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.228 -0.505 1.660 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.593 -1.128 1.289 0.00 0.00 +0.230 C ATOM 3 N LIG 1 -2.456 -0.268 0.636 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -2.048 0.576 0.251 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.888 -2.289 1.565 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.637 -0.796 -0.028 0.00 0.00 +0.168 C ATOM 7 C LIG 1 -3.416 -0.920 -1.528 0.00 0.00 +0.240 C ATOM 8 O LIG 1 -2.365 -1.171 -2.094 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 -4.597 -0.649 -2.139 0.00 0.00 -0.255 N ATOM 10 H LIG 1 -4.709 -0.646 -3.141 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 -5.441 0.032 -1.324 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -6.481 0.562 -1.679 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -4.849 0.120 0.054 0.00 0.00 +0.128 C ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 N LIG 1 0.414 -1.314 2.714 0.00 0.00 -0.320 NA ATOM 15 H LIG 1 0.457 -2.280 2.375 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 -0.232 -1.375 3.504 0.00 0.00 +0.119 HD ENDBRANCH 1 14 BRANCH 1 17 ATOM 17 C LIG 1 0.665 -0.422 0.414 0.00 0.00 +0.029 C BRANCH 17 18 ATOM 18 C LIG 1 1.996 0.287 0.681 0.00 0.00 +0.023 C BRANCH 18 19 ATOM 19 C LIG 1 2.841 0.375 -0.589 0.00 0.00 +0.115 C BRANCH 19 20 ATOM 20 N LIG 1 4.068 1.099 -0.309 0.00 0.00 -0.356 N ATOM 21 H LIG 1 4.513 0.797 0.552 0.00 0.00 +0.162 HD BRANCH 20 24 ATOM 22 N LIG 1 4.876 1.357 -2.525 0.00 0.00 -0.269 NA ATOM 23 H LIG 1 3.940 1.040 -2.776 0.00 0.00 +0.190 HD ATOM 24 C LIG 1 4.988 1.399 -1.251 0.00 0.00 +0.188 C BRANCH 24 25 ATOM 25 N LIG 1 6.146 1.807 -0.699 0.00 0.00 -0.370 N ATOM 26 H LIG 1 6.757 2.149 -1.435 0.00 0.00 +0.159 HD ATOM 27 H LIG 1 6.007 2.527 -0.001 0.00 0.00 +0.159 HD ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 9