REMARK Name = BDB027600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.429 -0.530 0.111 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -0.070 -1.629 0.907 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.300 -1.822 1.079 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.665 -2.901 1.871 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.817 -3.776 2.474 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.495 -3.568 2.272 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.226 -1.029 0.518 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.786 -0.021 -0.252 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.983 -2.527 1.507 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.492 0.250 -0.484 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.791 0.853 -0.885 0.00 0.00 +0.022 A ATOM 12 C LIG 1 4.167 0.632 -0.719 0.00 0.00 +0.031 A ATOM 13 C LIG 1 5.074 1.481 -1.333 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.718 2.532 -2.098 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 3.396 2.741 -2.255 0.00 0.00 +0.111 A ATOM 16 C LIG 1 2.416 1.946 -1.681 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.800 -0.253 -0.117 0.00 0.00 -0.312 N BRANCH 17 18 ATOM 18 C LIG 1 -2.325 0.922 0.637 0.00 0.00 +0.069 C ATOM 19 C LIG 1 -1.543 2.224 0.445 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.468 0.598 2.127 0.00 0.00 +0.028 C ENDBRANCH 17 18 BRANCH 17 22 ATOM 21 C LIG 1 -3.502 -0.703 -1.839 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -2.073 -0.247 -1.568 0.00 0.00 +0.103 C ENDBRANCH 17 22 ENDBRANCH 1 17 TORSDOF 4