REMARK Name = BDB036523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.971 -0.508 1.358 0.00 0.00 +0.188 A ATOM 2 C LIG 1 -0.630 -0.913 1.118 0.00 0.00 +0.068 A ATOM 3 C LIG 1 0.017 0.263 0.795 0.00 0.00 +0.171 A ATOM 4 C LIG 1 1.367 0.359 0.471 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.110 -0.830 0.478 0.00 0.00 +0.078 A ATOM 6 C LIG 1 1.473 -2.059 0.810 0.00 0.00 +0.142 A ATOM 7 O LIG 1 -0.869 1.292 0.844 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 0.105 -2.112 1.129 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -2.117 0.810 1.197 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.998 -1.378 1.699 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -2.859 -2.377 1.601 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -4.620 -0.953 1.708 0.00 0.00 +0.081 S ATOM 13 O LIG 1 -5.347 -2.206 1.799 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -4.788 0.059 2.729 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -5.571 0.920 -0.101 0.00 0.00 +0.151 A ATOM 16 C LIG 1 -4.923 -0.303 0.090 0.00 0.00 +0.191 A ATOM 17 C LIG 1 -4.512 -1.044 -1.028 0.00 0.00 +0.150 A ATOM 18 C LIG 1 -4.687 -0.533 -2.319 0.00 0.00 +0.048 A ATOM 19 C LIG 1 -5.330 0.688 -2.503 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -5.789 1.402 -1.398 0.00 0.00 +0.048 A BRANCH 17 21 ATOM 21 O LIG 1 -3.881 -2.255 -0.878 0.00 0.00 -0.493 OA ATOM 22 C LIG 1 -4.712 -3.323 -1.341 0.00 0.00 +0.277 C ENDBRANCH 17 21 BRANCH 15 23 ATOM 23 O LIG 1 -6.121 1.619 0.938 0.00 0.00 -0.490 OA BRANCH 23 25 ATOM 24 C LIG 1 -5.940 3.429 2.487 0.00 0.00 +0.048 C ATOM 25 C LIG 1 -5.369 2.806 1.226 0.00 0.00 +0.226 C ENDBRANCH 23 25 ENDBRANCH 15 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 2.307 -3.159 0.784 0.00 0.00 -0.493 OA ATOM 27 C LIG 1 1.746 -4.411 1.158 0.00 0.00 +0.277 C ENDBRANCH 6 26 BRANCH 5 28 ATOM 28 N LIG 1 3.495 -0.871 0.163 0.00 0.00 -0.295 N ATOM 29 H LIG 1 3.829 -1.829 0.241 0.00 0.00 +0.154 HD BRANCH 28 30 ATOM 30 C LIG 1 4.377 0.090 -0.192 0.00 0.00 +0.145 A ATOM 31 N LIG 1 4.157 1.395 -0.358 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 5.347 1.902 -0.705 0.00 0.00 -0.280 N ATOM 33 H LIG 1 5.408 2.899 -0.880 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 6.345 0.970 -0.776 0.00 0.00 +0.040 A ATOM 35 C LIG 1 5.737 -0.222 -0.446 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 7.759 1.294 -1.144 0.00 0.00 +0.031 C ATOM 37 C LIG 1 7.850 1.858 -2.562 0.00 0.00 +0.014 C ATOM 38 C LIG 1 8.392 2.252 -0.134 0.00 0.00 +0.014 C ENDBRANCH 34 36 ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 10