REMARK Name = BDB011349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.608 0.094 0.986 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.666 -0.536 0.157 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.568 -0.241 0.660 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.993 -0.533 0.344 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.660 0.099 1.538 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.719 0.762 2.376 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.893 1.399 3.401 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.432 0.500 1.796 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.922 0.735 2.016 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.032 0.024 1.796 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.870 -0.913 1.052 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -6.196 -1.000 1.243 0.00 0.00 +0.107 A ATOM 13 CL LIG 1 -7.160 -2.120 0.362 0.00 0.00 -0.078 Cl ATOM 14 C LIG 1 -6.859 -0.130 2.257 0.00 0.00 +0.267 A ATOM 15 O LIG 1 -8.063 -0.146 2.483 0.00 0.00 -0.266 OA ATOM 16 N LIG 1 -6.008 0.703 2.944 0.00 0.00 -0.326 N ATOM 17 H LIG 1 -6.441 1.298 3.641 0.00 0.00 +0.168 HD ATOM 18 C LIG 1 -4.652 0.780 2.725 0.00 0.00 +0.109 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.460 0.083 -0.967 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -3.006 -0.732 -1.975 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.449 -0.180 -3.180 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.349 1.193 -3.392 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.889 1.870 -4.878 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.812 2.019 -2.409 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.372 1.468 -1.203 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.761 -0.140 0.488 0.00 0.00 +0.218 A ATOM 27 N LIG 1 5.097 0.719 -0.293 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 3.760 0.795 -0.121 0.00 0.00 +0.228 A ATOM 29 C LIG 1 3.056 0.037 0.797 0.00 0.00 +0.078 A ATOM 30 C LIG 1 3.844 -0.796 1.559 0.00 0.00 +0.129 A ATOM 31 N LIG 1 5.181 -0.904 1.423 0.00 0.00 -0.222 NA BRANCH 26 33 ATOM 32 C LIG 1 7.910 -0.476 1.460 0.00 0.00 +0.128 C ATOM 33 N LIG 1 7.130 -0.206 0.274 0.00 0.00 -0.316 N ATOM 34 H LIG 1 7.379 0.639 -0.227 0.00 0.00 +0.149 HD ENDBRANCH 26 33 BRANCH 28 35 ATOM 35 O LIG 1 3.038 1.677 -0.907 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 3.842 2.431 -1.806 0.00 0.00 +0.279 C ENDBRANCH 28 35 ENDBRANCH 1 29 BRANCH 2 37 ATOM 37 C LIG 1 0.999 -1.397 -0.981 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.816 -0.695 -2.324 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.284 -2.749 -0.945 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6