REMARK Name = BDB009979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.319 0.888 1.121 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.309 1.742 0.686 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.620 3.031 0.289 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.490 3.713 -0.111 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.504 2.880 0.022 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.854 3.550 0.301 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.769 2.685 0.755 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.062 1.670 0.539 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.559 1.411 1.159 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.892 3.241 -0.276 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.700 2.467 -1.110 0.00 0.00 +0.031 A ATOM 12 C LIG 1 5.001 2.884 -1.340 0.00 0.00 +0.111 A ATOM 13 N LIG 1 5.534 4.004 -0.811 0.00 0.00 -0.263 NA ATOM 14 C LIG 1 4.726 4.756 -0.035 0.00 0.00 +0.111 A ATOM 15 C LIG 1 3.414 4.422 0.255 0.00 0.00 +0.031 A ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.101 -0.425 1.514 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.296 -0.855 1.082 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 -1.927 -2.396 2.635 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -2.251 -1.334 1.580 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 -2.471 -2.022 0.230 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -3.063 -1.174 -0.933 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -3.808 -2.447 -1.383 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -3.739 -2.912 0.086 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 -4.199 3.154 0.817 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -5.169 2.500 1.167 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.362 4.441 0.430 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -5.324 4.599 0.522 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 1.912 0.580 0.998 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 1.936 -0.631 0.086 0.00 0.00 -0.028 A ATOM 30 C LIG 1 2.508 -1.814 0.583 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.547 -2.976 -0.192 0.00 0.00 +0.013 A ATOM 32 C LIG 1 2.023 -2.983 -1.492 0.00 0.00 +0.055 A ATOM 33 C LIG 1 1.456 -1.806 -1.994 0.00 0.00 +0.013 A ATOM 34 C LIG 1 1.419 -0.642 -1.218 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 2.046 -4.250 -2.313 0.00 0.00 +0.417 C ATOM 36 F LIG 1 1.847 -4.036 -3.643 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.083 -5.131 -1.926 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.229 -4.918 -2.216 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9