REMARK Name = BDB002255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.092 -1.672 1.261 0.00 0.00 +0.149 C ATOM 2 N LIG 1 -1.797 -1.085 0.919 0.00 0.00 -0.350 N ATOM 3 C LIG 1 -1.759 0.013 0.028 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -0.518 0.593 -0.324 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -0.455 1.681 -1.213 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -1.619 2.209 -1.764 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.848 1.656 -1.429 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.759 0.053 0.255 0.00 0.00 +0.074 A ATOM 9 N LIG 1 1.878 0.639 -0.064 0.00 0.00 -0.253 NA ATOM 10 C LIG 1 0.612 -1.135 1.146 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.917 0.572 -0.545 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -0.613 -1.598 1.405 0.00 0.00 +0.088 A ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 3.066 0.212 0.465 0.00 0.00 +0.141 C ATOM 14 C LIG 1 4.203 0.089 -0.244 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 C LIG 1 4.247 0.359 -1.639 0.00 0.00 +0.112 C ATOM 16 N LIG 1 4.321 0.566 -2.780 0.00 0.00 -0.190 NA ENDBRANCH 14 15 BRANCH 14 17 ATOM 17 C LIG 1 5.390 -0.327 0.416 0.00 0.00 +0.112 C ATOM 18 N LIG 1 6.341 -0.677 0.982 0.00 0.00 -0.190 NA ENDBRANCH 14 17 ENDBRANCH 9 13 TORSDOF 3