REMARK Name = BDB036136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.867 -0.064 0.234 0.00 0.00 -0.302 NA ATOM 2 C LIG 1 2.374 -0.563 1.532 0.00 0.00 +0.085 C ATOM 3 C LIG 1 0.929 -0.132 1.795 0.00 0.00 +0.025 C ATOM 4 C LIG 1 -0.001 -0.772 0.748 0.00 0.00 +0.004 C ATOM 5 C LIG 1 -1.374 -0.051 0.638 0.00 0.00 +0.115 C ATOM 6 N LIG 1 -1.910 -1.085 1.464 0.00 0.00 -0.310 N ATOM 7 C LIG 1 -0.825 -1.982 1.262 0.00 0.00 +0.115 C ATOM 8 C LIG 1 0.710 -1.044 -0.583 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.810 -0.004 -0.796 0.00 0.00 +0.085 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.211 -1.361 1.916 0.00 0.00 +0.187 A ATOM 11 C LIG 1 -4.259 -0.438 1.862 0.00 0.00 +0.280 A ATOM 12 N LIG 1 -5.483 -0.720 2.391 0.00 0.00 -0.106 NA ATOM 13 N LIG 1 -5.676 -1.923 2.973 0.00 0.00 -0.134 NA ATOM 14 C LIG 1 -4.646 -2.793 2.988 0.00 0.00 +0.247 A ATOM 15 N LIG 1 -3.417 -2.574 2.482 0.00 0.00 -0.214 NA BRANCH 11 16 ATOM 16 O LIG 1 -4.038 0.796 1.262 0.00 0.00 -0.434 OA BRANCH 16 17 ATOM 17 C LIG 1 -5.075 1.692 1.318 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -5.987 1.813 0.262 0.00 0.00 +0.082 A ATOM 19 C LIG 1 -6.997 2.779 0.316 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -7.095 3.595 1.437 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -8.065 4.516 1.500 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -6.195 3.482 2.493 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -5.174 2.532 2.433 0.00 0.00 +0.050 A BRANCH 18 24 ATOM 24 C LIG 1 -5.845 0.998 -0.960 0.00 0.00 +0.250 C ATOM 25 N LIG 1 -6.889 0.142 -1.338 0.00 0.00 -0.295 N ATOM 26 O LIG 1 -4.828 1.166 -1.634 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -7.962 -0.312 -0.423 0.00 0.00 +0.070 C ATOM 28 C LIG 1 -9.353 0.015 -0.969 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -7.836 -1.802 -0.094 0.00 0.00 +0.028 C ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 -6.807 -0.445 -2.681 0.00 0.00 +0.105 C ATOM 31 C LIG 1 -7.170 0.561 -3.767 0.00 0.00 +0.024 C ENDBRANCH 25 30 ENDBRANCH 18 24 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 10 BRANCH 1 32 ATOM 32 C LIG 1 4.043 -0.810 -0.247 0.00 0.00 +0.088 C BRANCH 32 41 ATOM 33 C LIG 1 10.001 -0.042 -3.121 0.00 0.00 +0.015 C ATOM 34 C LIG 1 9.690 0.944 -2.008 0.00 0.00 +0.053 C ATOM 35 C LIG 1 10.011 0.385 -0.642 0.00 0.00 +0.137 C ATOM 36 O LIG 1 11.105 -0.070 -0.329 0.00 0.00 -0.297 OA ATOM 37 C LIG 1 8.835 0.446 0.300 0.00 0.00 +0.081 C ATOM 38 C LIG 1 7.632 0.522 -0.665 0.00 0.00 -0.022 C ATOM 39 C LIG 1 7.149 -0.897 -1.057 0.00 0.00 +0.007 C ATOM 40 C LIG 1 6.422 -1.628 0.083 0.00 0.00 +0.005 C ATOM 41 C LIG 1 5.270 -0.816 0.702 0.00 0.00 +0.003 C ATOM 42 C LIG 1 5.766 0.585 1.089 0.00 0.00 +0.005 C ATOM 43 C LIG 1 6.453 1.314 -0.062 0.00 0.00 +0.007 C ATOM 44 C LIG 1 8.200 1.292 -1.885 0.00 0.00 +0.018 C ENDBRANCH 32 41 ENDBRANCH 1 32 TORSDOF 8