REMARK Name = BDB055030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.747 0.598 -0.499 0.00 0.00 +0.106 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -3.151 0.535 -0.486 0.00 0.00 -0.249 N ATOM 3 H LIG 1 -3.062 1.365 -1.067 0.00 0.00 +0.169 HD ATOM 4 C LIG 1 -2.002 -0.102 -0.024 0.00 0.00 +0.227 C ATOM 5 O LIG 1 -1.974 -1.106 0.682 0.00 0.00 -0.275 OA BRANCH 2 7 ATOM 6 C LIG 1 -4.750 -1.225 -0.748 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -4.462 0.100 -0.197 0.00 0.00 -0.233 NA ATOM 8 C LIG 1 -4.775 0.165 1.231 0.00 0.00 +0.127 C ENDBRANCH 2 7 ENDBRANCH 1 4 BRANCH 1 9 ATOM 9 C LIG 1 0.508 -0.100 0.007 0.00 0.00 +0.106 C BRANCH 9 10 ATOM 10 C LIG 1 1.763 0.599 -0.468 0.00 0.00 +0.227 C ATOM 11 N LIG 1 2.911 -0.037 -0.007 0.00 0.00 -0.249 N ATOM 12 H LIG 1 2.839 -0.866 0.575 0.00 0.00 +0.169 HD ATOM 13 O LIG 1 1.736 1.603 -1.174 0.00 0.00 -0.275 OA BRANCH 11 14 ATOM 14 N LIG 1 4.178 0.468 -0.346 0.00 0.00 -0.233 NA ATOM 15 C LIG 1 4.914 0.886 0.846 0.00 0.00 +0.127 C ATOM 16 C LIG 1 4.939 -0.501 -1.130 0.00 0.00 +0.127 C ENDBRANCH 11 14 ENDBRANCH 9 10 ENDBRANCH 1 9 TORSDOF 5