REMARK Name = BDB036526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.546 -1.804 -0.547 0.00 0.00 +0.142 A ATOM 2 C LIG 1 1.959 -0.911 0.477 0.00 0.00 +0.078 A ATOM 3 C LIG 1 1.341 0.342 0.607 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.319 0.633 -0.291 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -0.105 -0.209 -1.298 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -1.154 0.512 -1.927 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -1.347 1.697 -1.345 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -0.420 1.772 -0.320 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 0.520 -1.460 -1.443 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.010 -3.848 -1.694 0.00 0.00 +0.277 C ATOM 11 O LIG 1 2.208 -3.010 -0.561 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.028 -1.312 1.319 0.00 0.00 -0.297 N ATOM 13 H LIG 1 3.078 -2.326 1.381 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 3.928 -0.560 1.989 0.00 0.00 +0.119 A ATOM 15 N LIG 1 4.291 0.709 1.621 0.00 0.00 -0.264 N ATOM 16 H LIG 1 3.954 1.238 0.827 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 5.258 1.246 2.388 0.00 0.00 -0.175 NA ATOM 18 C LIG 1 5.530 0.279 3.283 0.00 0.00 +0.093 A ATOM 19 C LIG 1 4.744 -0.878 3.049 0.00 0.00 +0.070 A BRANCH 18 20 ATOM 20 C LIG 1 6.613 0.450 4.309 0.00 0.00 +0.162 C ATOM 21 C LIG 1 6.621 1.831 4.961 0.00 0.00 +0.044 C BRANCH 20 22 ATOM 22 O LIG 1 7.903 0.231 3.718 0.00 0.00 -0.386 OA ATOM 23 H LIG 1 7.928 0.825 2.946 0.00 0.00 +0.210 HD ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 24 ATOM 24 N LIG 1 -1.893 0.030 -2.999 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -1.799 -0.944 -3.268 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -3.365 0.671 -3.480 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -3.944 -0.323 -4.366 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -3.111 2.014 -3.954 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.357 0.668 -2.013 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -5.083 1.795 -1.617 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -5.889 1.741 -0.471 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -5.943 0.582 0.301 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -5.210 -0.538 -0.081 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.445 -0.510 -1.254 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -5.124 2.926 -2.386 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -4.470 4.023 -1.741 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -3.740 -1.630 -1.615 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -4.615 -2.708 -1.958 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 10