REMARK Name = BDB027792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.366 0.814 -0.004 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.318 2.030 0.166 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.710 1.929 0.215 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.400 3.121 0.374 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.846 4.357 0.493 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.505 4.416 0.458 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.363 0.762 0.121 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.613 -0.340 -0.020 0.00 0.00 +0.165 A ATOM 9 C LIG 1 -0.295 3.299 0.300 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.275 -0.367 -0.098 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.293 -1.613 -0.104 0.00 0.00 +0.056 A ATOM 12 C LIG 1 3.659 -1.806 -0.094 0.00 0.00 +0.116 A ATOM 13 N LIG 1 3.858 -3.152 -0.191 0.00 0.00 -0.284 N ATOM 14 H LIG 1 4.738 -3.657 -0.214 0.00 0.00 +0.188 HD ATOM 15 N LIG 1 2.716 -3.857 -0.261 0.00 0.00 -0.182 NA ATOM 16 C LIG 1 1.766 -2.918 -0.209 0.00 0.00 +0.145 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.789 0.822 -0.076 0.00 0.00 -0.321 N ATOM 18 H LIG 1 -2.054 1.444 -0.840 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.524 -0.479 -0.117 0.00 0.00 +0.057 C ATOM 20 C LIG 1 -2.458 -1.401 1.086 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -3.704 -0.615 0.826 0.00 0.00 +0.030 C BRANCH 19 22 ATOM 22 C LIG 1 -2.698 -1.107 -1.496 0.00 0.00 +0.181 C BRANCH 22 23 ATOM 23 O LIG 1 -1.539 -0.902 -2.296 0.00 0.00 -0.393 OA ATOM 24 H LIG 1 -0.780 -1.031 -1.691 0.00 0.00 +0.209 HD ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5