REMARK Name = BDB021204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.028 0.495 0.262 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.269 -0.449 -0.484 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.105 -0.328 -0.418 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.635 -1.289 -1.248 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.550 -1.971 -1.746 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.746 0.660 0.352 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.038 1.542 1.003 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.626 -1.450 -1.267 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.337 1.437 0.938 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.575 -0.407 2.676 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.243 0.112 1.431 0.00 0.00 -0.042 A ATOM 12 C LIG 1 2.505 0.532 0.302 0.00 0.00 -0.010 A ATOM 13 C LIG 1 3.182 1.013 -0.833 0.00 0.00 +0.009 A ATOM 14 C LIG 1 4.575 1.085 -0.856 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.304 0.661 0.257 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.645 0.201 1.401 0.00 0.00 +0.017 A BRANCH 15 17 ATOM 17 C LIG 1 6.782 0.753 0.270 0.00 0.00 +0.246 C ATOM 18 N LIG 1 7.506 0.157 -0.761 0.00 0.00 -0.304 N ATOM 19 C LIG 1 8.940 0.382 -0.811 0.00 0.00 +0.132 C ATOM 20 C LIG 1 6.992 -0.893 -1.631 0.00 0.00 +0.132 C ATOM 21 O LIG 1 7.301 1.374 1.195 0.00 0.00 -0.270 OA ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 22 ATOM 22 C LIG 1 -0.568 -3.074 -2.658 0.00 0.00 +0.121 C ATOM 23 N LIG 1 -0.626 -3.966 -3.400 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.121 0.730 0.408 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.353 1.627 0.837 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.854 -0.303 1.138 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.321 0.015 1.138 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.092 0.015 -0.022 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.724 -0.314 -1.421 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.978 0.191 -2.135 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -8.075 0.222 -1.195 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.455 0.285 0.026 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.113 0.565 1.206 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.359 0.584 2.379 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.985 0.311 2.336 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.297 0.330 3.487 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 6