REMARK Name = BDB008277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.324 0.902 -0.620 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.021 1.107 -0.350 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.833 0.073 -0.424 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.413 -1.204 -0.762 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.943 -1.417 -1.022 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.828 -0.339 -0.961 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.419 -2.755 -1.401 0.00 0.00 +0.056 A ATOM 8 N LIG 1 -1.803 -3.758 -0.480 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -2.212 -5.031 -0.894 0.00 0.00 +0.138 A ATOM 10 N LIG 1 -2.495 -5.816 0.120 0.00 0.00 -0.233 NA ATOM 11 C LIG 1 -2.296 -5.056 1.241 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -2.544 -5.636 2.582 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -2.263 -5.297 -2.290 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -1.912 -4.343 -3.168 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.876 -3.777 0.910 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.570 -2.634 1.804 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -1.470 -3.035 -2.722 0.00 0.00 +0.027 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.425 2.242 -0.748 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.083 2.065 -0.505 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -1.508 2.853 -0.233 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.185 1.377 -1.183 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.914 3.698 -0.504 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.608 4.171 0.915 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.789 4.969 -1.394 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -5.379 3.752 -0.709 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -5.646 2.938 -1.274 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.189 0.255 -0.156 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.814 -0.543 -0.215 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.798 1.442 0.196 0.00 0.00 +0.268 C ATOM 30 O LIG 1 2.280 2.543 0.334 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.274 1.279 0.418 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.767 0.008 0.230 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 6.094 -0.165 0.422 0.00 0.00 +0.117 A ATOM 34 C LIG 1 6.918 0.871 0.791 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.377 0.896 1.029 0.00 0.00 +0.197 C ATOM 36 O LIG 1 8.632 2.218 1.562 0.00 0.00 -0.371 OA ATOM 37 C LIG 1 7.483 3.071 1.341 0.00 0.00 +0.196 C ATOM 38 C LIG 1 6.393 2.138 0.971 0.00 0.00 -0.013 A ATOM 39 C LIG 1 5.046 2.375 0.785 0.00 0.00 +0.039 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6