REMARK Name = BDB027992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.715 -0.367 0.987 0.00 0.00 -0.316 N ATOM 2 H LIG 1 -2.181 -0.682 1.837 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 9 ATOM 3 O LIG 1 -5.796 0.410 -1.171 0.00 0.00 -0.275 OA ATOM 4 C LIG 1 -4.691 0.688 -0.714 0.00 0.00 +0.219 C ATOM 5 N LIG 1 -4.569 1.280 0.516 0.00 0.00 -0.255 N ATOM 6 H LIG 1 -5.440 1.427 1.008 0.00 0.00 +0.158 HD ATOM 7 C LIG 1 -3.437 1.333 1.291 0.00 0.00 +0.240 C ATOM 8 O LIG 1 -3.527 1.526 2.504 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -2.101 1.001 0.608 0.00 0.00 +0.159 C ATOM 10 C LIG 1 -2.247 1.165 -0.907 0.00 0.00 +0.041 C ATOM 11 C LIG 1 -3.411 0.338 -1.430 0.00 0.00 +0.098 C ENDBRANCH 1 9 BRANCH 1 12 ATOM 12 C LIG 1 -0.434 -0.771 0.833 0.00 0.00 +0.142 A ATOM 13 N LIG 1 0.496 -0.169 0.101 0.00 0.00 -0.151 NA ATOM 14 N LIG 1 1.613 -0.928 0.240 0.00 0.00 -0.238 N ATOM 15 C LIG 1 1.382 -2.003 1.070 0.00 0.00 +0.116 A ATOM 16 C LIG 1 0.068 -1.924 1.464 0.00 0.00 +0.065 A BRANCH 14 17 ATOM 17 C LIG 1 2.823 -0.576 -0.424 0.00 0.00 +0.065 A ATOM 18 C LIG 1 2.855 0.569 -1.236 0.00 0.00 +0.028 A ATOM 19 C LIG 1 4.031 0.931 -1.897 0.00 0.00 +0.002 A ATOM 20 C LIG 1 5.180 0.157 -1.753 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.156 -0.981 -0.949 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.983 -1.351 -0.284 0.00 0.00 +0.028 A ENDBRANCH 14 17 ENDBRANCH 1 12 TORSDOF 3