REMARK Name = BDB010842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.242 -1.245 0.220 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.506 -0.475 1.122 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.588 -0.744 2.480 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.159 0.121 3.216 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -0.746 0.906 2.337 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.322 -1.730 3.017 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.958 -2.446 2.081 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.407 0.557 1.044 0.00 0.00 -0.323 N ATOM 9 N LIG 1 1.952 -2.258 0.749 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.776 -3.568 2.594 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.812 -3.802 3.917 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.332 -3.289 4.638 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.616 -4.856 4.104 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.895 -5.364 5.178 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.077 -5.273 2.880 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.498 -4.394 1.908 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -1.706 2.083 2.803 0.00 0.00 +0.054 C ATOM 18 C LIG 1 -2.433 1.865 4.127 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -3.195 1.802 2.844 0.00 0.00 +0.020 C BRANCH 17 20 ATOM 20 C LIG 1 -1.161 3.480 2.559 0.00 0.00 -0.031 A ATOM 21 C LIG 1 -1.759 4.374 1.655 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -1.230 5.646 1.449 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -1.822 6.468 0.574 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -0.098 6.072 2.130 0.00 0.00 +0.038 A ATOM 25 C LIG 1 0.514 5.211 3.034 0.00 0.00 +0.003 A ATOM 26 C LIG 1 -0.014 3.933 3.243 0.00 0.00 +0.005 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 1.256 -1.000 -1.145 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.445 -0.019 -1.320 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 1.444 -3.280 -2.120 0.00 0.00 +0.028 C ATOM 30 C LIG 1 2.001 -1.858 -2.078 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 3.512 -1.855 -1.853 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.392 -2.305 -3.055 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.411 -1.234 -2.618 0.00 0.00 +0.001 C ATOM 34 C LIG 1 4.231 -0.481 -1.971 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -0.926 1.184 -0.156 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 -2.325 0.705 -0.595 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -2.352 -0.755 -1.090 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -2.160 -0.855 -2.600 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -3.277 -0.129 -3.373 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -4.360 -1.103 -3.839 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -3.908 1.015 -2.559 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -2.878 1.681 -1.655 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8