REMARK Name = BDB008098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.015 0.884 0.398 0.00 0.00 +0.045 A ATOM 2 C LIG 1 1.184 1.672 0.944 0.00 0.00 +0.279 A ATOM 3 O LIG 1 1.094 2.773 1.471 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 2.436 1.043 0.809 0.00 0.00 -0.179 N ATOM 5 C LIG 1 2.638 -0.196 0.232 0.00 0.00 +0.156 A ATOM 6 C LIG 1 3.986 -0.445 0.296 0.00 0.00 +0.114 A ATOM 7 C LIG 1 4.530 0.689 0.925 0.00 0.00 +0.156 A ATOM 8 N LIG 1 1.561 -0.859 -0.241 0.00 0.00 -0.338 N ATOM 9 H LIG 1 1.627 -1.778 -0.682 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 3.603 1.599 1.242 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 0.286 -0.324 -0.156 0.00 0.00 +0.057 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 -0.775 -1.178 -0.720 0.00 0.00 -0.001 A ATOM 13 C LIG 1 -1.426 -2.119 0.088 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -2.426 -2.931 -0.449 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -2.776 -2.809 -1.794 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.128 -1.877 -2.604 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -1.128 -1.063 -2.070 0.00 0.00 +0.010 A ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 -1.796 1.712 1.972 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -1.366 1.514 0.515 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.485 2.815 -0.284 0.00 0.00 +0.012 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 4.674 -1.596 -0.172 0.00 0.00 +0.104 C ATOM 22 N LIG 1 5.227 -2.541 -0.558 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3