REMARK Name = BDB051667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.229 -0.834 -0.075 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -5.036 -0.563 -0.135 0.00 0.00 +0.244 C ATOM 3 C LIG 1 -4.286 -0.031 1.038 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -2.962 0.433 0.901 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -2.287 0.929 2.038 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -0.854 1.397 1.944 0.00 0.00 +0.054 C ATOM 7 C LIG 1 -0.459 1.719 0.504 0.00 0.00 +0.113 C ATOM 8 N LIG 1 -0.846 0.617 -0.381 0.00 0.00 -0.293 N ATOM 9 C LIG 1 0.057 -0.253 -0.979 0.00 0.00 +0.216 C ATOM 10 O LIG 1 -0.292 -1.179 -1.709 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 -2.933 0.932 3.283 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -4.244 0.474 3.404 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.312 0.450 -0.484 0.00 0.00 +0.124 C ATOM 14 C LIG 1 -2.873 -0.729 -1.306 0.00 0.00 +0.131 C ATOM 15 C LIG 1 -4.922 -0.004 2.284 0.00 0.00 +0.013 A ATOM 16 N LIG 1 -4.325 -0.737 -1.296 0.00 0.00 -0.309 N ATOM 17 H LIG 1 -4.825 -1.238 -2.021 0.00 0.00 +0.149 HD ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 1.533 -0.013 -0.702 0.00 0.00 +0.100 C BRANCH 18 19 ATOM 19 C LIG 1 2.419 -1.075 -1.353 0.00 0.00 +0.044 C BRANCH 19 20 ATOM 20 C LIG 1 3.877 -0.831 -1.051 0.00 0.00 -0.047 A ATOM 21 C LIG 1 4.647 -0.007 -1.883 0.00 0.00 +0.003 A ATOM 22 C LIG 1 5.989 0.237 -1.590 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.573 -0.337 -0.462 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.815 -1.155 0.374 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.472 -1.400 0.083 0.00 0.00 +0.003 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 9 18 TORSDOF 3