REMARK Name = BDB024428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.907 -0.658 1.697 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.081 -2.146 1.421 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.953 -2.893 2.236 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.170 -4.250 2.006 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.512 -4.886 0.969 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.625 -4.172 0.162 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.413 -2.811 0.385 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.258 0.026 0.922 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.493 -0.270 1.454 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.551 -0.848 2.290 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.070 0.763 -0.044 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.748 0.143 1.016 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.752 -0.270 1.819 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 5.014 0.101 1.481 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.338 0.870 0.367 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.282 1.251 -0.460 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.972 0.890 -0.133 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.703 1.239 0.057 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.685 1.511 0.991 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.803 1.845 0.281 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.092 2.208 0.813 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.623 1.816 -1.050 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.345 1.451 -1.186 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.164 0.127 1.605 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.918 1.115 1.708 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.901 -0.028 0.339 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.202 0.814 0.368 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -5.174 0.330 1.454 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -6.837 0.848 -4.775 0.00 0.00 +0.065 C ATOM 30 C LIG 1 -6.152 0.864 -3.448 0.00 0.00 +0.038 A ATOM 31 N LIG 1 -6.000 -0.319 -2.808 0.00 0.00 -0.260 NA ATOM 32 C LIG 1 -5.372 -0.305 -1.607 0.00 0.00 +0.115 A ATOM 33 C LIG 1 -4.880 0.842 -0.991 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -5.045 2.046 -1.681 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -5.683 2.061 -2.922 0.00 0.00 +0.023 A ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8