REMARK Name = BDB010232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.982 -0.890 -1.388 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.331 -1.209 -1.069 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.188 -1.684 -2.048 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -2.439 -1.913 -1.555 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -2.361 -1.648 -0.274 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.832 -1.893 -3.323 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 0.460 -1.613 -3.547 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.100 -1.209 0.074 0.00 0.00 -0.303 N ATOM 9 N LIG 1 1.361 -1.135 -2.657 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.362 -1.752 0.644 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -3.503 -3.129 1.203 0.00 0.00 +0.136 C ATOM 12 C LIG 1 -4.891 -3.328 1.827 0.00 0.00 +0.179 C ATOM 13 O LIG 1 -5.961 -3.206 0.878 0.00 0.00 -0.377 OA ATOM 14 C LIG 1 -5.635 -2.342 -0.225 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -4.671 -1.216 0.170 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 1.869 -0.337 -0.464 0.00 0.00 -0.324 N ATOM 17 H LIG 1 1.412 0.443 0.003 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 4.111 -1.218 -0.881 0.00 0.00 +0.028 C ATOM 19 C LIG 1 3.208 0.015 -0.958 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 3.800 1.122 -0.075 0.00 0.00 +0.009 C ATOM 21 C LIG 1 3.188 2.542 -0.254 0.00 0.00 +0.005 C ATOM 22 C LIG 1 4.604 3.103 -0.019 0.00 0.00 +0.001 C ATOM 23 C LIG 1 5.144 1.756 -0.536 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 0.986 -1.833 -4.941 0.00 0.00 +0.375 C ATOM 25 O LIG 1 2.121 -1.619 -5.336 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 0.058 -2.318 -5.799 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 0.538 -2.408 -6.646 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 -0.652 -0.905 1.425 0.00 0.00 +0.160 C BRANCH 28 29 ATOM 29 C LIG 1 -0.536 0.575 1.716 0.00 0.00 -0.028 A ATOM 30 C LIG 1 0.513 1.031 2.529 0.00 0.00 +0.006 A ATOM 31 C LIG 1 0.634 2.385 2.849 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -0.301 3.316 2.376 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -1.357 2.861 1.575 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.482 1.505 1.260 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -0.149 4.782 2.697 0.00 0.00 +0.417 C ATOM 36 F LIG 1 0.349 5.003 3.945 0.00 0.00 -0.166 F ATOM 37 F LIG 1 0.699 5.412 1.838 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.323 5.471 2.638 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9