REMARK Name = BDB052735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.483 1.403 0.548 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -1.278 2.578 0.874 0.00 0.00 +0.178 A ATOM 3 N LIG 1 -2.613 2.593 0.587 0.00 0.00 -0.302 N ATOM 4 C LIG 1 -3.093 3.809 0.990 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -1.999 4.471 1.509 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -3.217 1.506 -0.005 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -2.453 0.430 -0.286 0.00 0.00 +0.091 A ATOM 8 N LIG 1 -0.865 3.697 1.434 0.00 0.00 -0.233 NA ATOM 9 N LIG 1 -1.089 0.385 -0.018 0.00 0.00 -0.227 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.048 -0.755 -0.943 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.313 -1.247 -0.624 0.00 0.00 +0.120 A ATOM 12 N LIG 1 -4.893 -2.328 -1.203 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -4.164 -2.974 -2.138 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -2.890 -2.589 -2.519 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.329 -1.468 -1.910 0.00 0.00 +0.013 A ENDBRANCH 7 10 BRANCH 1 16 ATOM 16 N LIG 1 0.866 1.438 0.844 0.00 0.00 -0.296 N ATOM 17 H LIG 1 1.164 2.312 1.268 0.00 0.00 +0.154 HD BRANCH 16 21 ATOM 18 C LIG 1 3.980 -1.424 0.550 0.00 0.00 +0.120 A ATOM 19 C LIG 1 4.241 -0.105 0.906 0.00 0.00 +0.047 A ATOM 20 C LIG 1 3.189 0.817 1.002 0.00 0.00 +0.027 A ATOM 21 C LIG 1 1.856 0.449 0.753 0.00 0.00 +0.033 A ATOM 22 C LIG 1 1.616 -0.877 0.388 0.00 0.00 +0.027 A ATOM 23 C LIG 1 2.664 -1.802 0.292 0.00 0.00 +0.047 A BRANCH 18 25 ATOM 24 C LIG 1 6.259 -2.084 0.681 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.903 -2.423 0.419 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 TORSDOF 4