REMARK Name = BDB008288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.974 -0.688 -1.075 0.00 0.00 +0.128 A ATOM 2 N LIG 1 1.314 0.597 -0.881 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.888 1.228 0.225 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.068 0.607 1.155 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.306 -0.724 0.954 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.192 -1.388 -0.169 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.171 -1.405 1.903 0.00 0.00 +0.099 A ATOM 8 C LIG 1 -2.533 -1.637 1.727 0.00 0.00 +0.094 A ATOM 9 C LIG 1 -3.214 -2.347 2.707 0.00 0.00 +0.096 A ATOM 10 C LIG 1 -4.567 -2.488 2.304 0.00 0.00 -0.004 A ATOM 11 C LIG 1 -4.694 -1.851 1.077 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -5.900 -1.717 0.209 0.00 0.00 +0.064 C ATOM 13 C LIG 1 -5.635 -3.195 3.061 0.00 0.00 +0.048 C ATOM 14 N LIG 1 -2.627 -2.809 3.831 0.00 0.00 -0.230 NA ATOM 15 C LIG 1 -1.325 -2.519 3.938 0.00 0.00 +0.127 A ATOM 16 C LIG 1 -0.614 -3.023 5.157 0.00 0.00 +0.088 C ATOM 17 N LIG 1 -3.461 -1.311 0.755 0.00 0.00 -0.344 N ATOM 18 C LIG 1 -3.189 -0.505 -0.419 0.00 0.00 +0.149 C ATOM 19 N LIG 1 -0.581 -1.856 3.032 0.00 0.00 -0.230 NA ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 1.962 -0.798 -3.329 0.00 0.00 +0.235 C ATOM 21 N LIG 1 1.453 -1.390 -2.187 0.00 0.00 -0.269 N ATOM 22 H LIG 1 1.337 -2.391 -2.185 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 1.761 0.364 -3.677 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 2.713 -1.794 -4.258 0.00 0.00 +0.137 C ATOM 25 C LIG 1 3.700 -2.693 -3.511 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 4.550 -0.340 -5.032 0.00 0.00 +0.101 C ATOM 27 N LIG 1 3.339 -1.073 -5.398 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 2.653 -0.370 -5.696 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 1 21 BRANCH 3 29 ATOM 29 N LIG 1 1.247 2.553 0.482 0.00 0.00 -0.265 N ATOM 30 H LIG 1 0.849 3.016 1.292 0.00 0.00 +0.157 HD ATOM 31 C LIG 1 2.134 3.317 -0.244 0.00 0.00 +0.268 C ATOM 32 O LIG 1 2.818 2.986 -1.202 0.00 0.00 -0.268 OA BRANCH 31 33 ATOM 33 C LIG 1 2.244 4.718 0.285 0.00 0.00 +0.126 A ATOM 34 N LIG 1 1.497 5.002 1.395 0.00 0.00 -0.249 NA ATOM 35 C LIG 1 1.600 6.268 1.872 0.00 0.00 +0.131 A ATOM 36 C LIG 1 2.400 7.250 1.304 0.00 0.00 +0.059 A ATOM 37 CL LIG 1 2.467 8.827 1.977 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 3.147 6.931 0.174 0.00 0.00 +0.024 A ATOM 39 C LIG 1 3.071 5.641 -0.348 0.00 0.00 +0.034 A ENDBRANCH 31 33 ENDBRANCH 3 29 TORSDOF 6