REMARK Name = BDB059802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.857 -0.373 0.153 0.00 0.00 +0.040 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -4.861 0.607 -1.169 0.00 0.00 -0.044 A ATOM 3 C LIG 1 -4.123 -0.393 -1.812 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -2.834 -0.714 -1.380 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.258 -0.039 -0.298 0.00 0.00 -0.047 A ATOM 6 C LIG 1 -2.986 0.974 0.334 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -4.275 1.295 -0.097 0.00 0.00 +0.004 A BRANCH 2 8 ATOM 8 C LIG 1 -6.268 0.946 -1.617 0.00 0.00 +0.082 C BRANCH 8 14 ATOM 9 C LIG 1 -11.214 0.705 -0.923 0.00 0.00 +0.134 C ATOM 10 N LIG 1 -9.861 0.319 -0.565 0.00 0.00 -0.277 N ATOM 11 C LIG 1 -9.625 -0.825 0.351 0.00 0.00 +0.193 C ATOM 12 S LIG 1 -9.174 -2.315 -0.677 0.00 0.00 -0.053 S ATOM 13 S LIG 1 -7.441 -1.634 -1.587 0.00 0.00 -0.055 S ATOM 14 C LIG 1 -7.403 0.119 -0.971 0.00 0.00 +0.171 C ATOM 15 N LIG 1 -7.336 0.102 0.494 0.00 0.00 -0.290 N ATOM 16 H LIG 1 -6.434 0.064 0.953 0.00 0.00 +0.151 HD ATOM 17 C LIG 1 -8.364 -0.492 1.204 0.00 0.00 +0.252 C ATOM 18 O LIG 1 -8.216 -0.796 2.385 0.00 0.00 -0.272 OA ATOM 19 C LIG 1 -8.787 0.749 -1.367 0.00 0.00 +0.252 C ATOM 20 O LIG 1 -8.935 1.479 -2.345 0.00 0.00 -0.272 OA BRANCH 11 21 ATOM 21 C LIG 1 -10.789 -1.212 1.292 0.00 0.00 +0.203 C BRANCH 21 22 ATOM 22 O LIG 1 -11.161 -0.152 2.182 0.00 0.00 -0.391 OA ATOM 23 H LIG 1 -10.462 -0.098 2.865 0.00 0.00 +0.210 HD ENDBRANCH 21 22 ENDBRANCH 11 21 ENDBRANCH 8 14 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 0.190 0.462 -0.588 0.00 0.00 +0.040 C BRANCH 24 25 ATOM 25 C LIG 1 1.589 0.128 -0.135 0.00 0.00 -0.047 A ATOM 26 C LIG 1 2.173 0.814 0.935 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.463 0.491 1.363 0.00 0.00 +0.004 A ATOM 28 C LIG 1 4.202 -0.518 0.728 0.00 0.00 -0.044 A ATOM 29 C LIG 1 3.603 -1.216 -0.327 0.00 0.00 +0.004 A ATOM 30 C LIG 1 2.312 -0.895 -0.756 0.00 0.00 +0.004 A BRANCH 28 31 ATOM 31 C LIG 1 5.598 -0.870 1.209 0.00 0.00 +0.082 C BRANCH 31 32 ATOM 32 C LIG 1 6.835 -0.121 0.620 0.00 0.00 +0.174 C ATOM 33 C LIG 1 7.133 -0.577 -0.856 0.00 0.00 +0.252 C ATOM 34 O LIG 1 6.346 -1.216 -1.550 0.00 0.00 -0.272 OA ATOM 35 N LIG 1 8.379 -0.158 -1.359 0.00 0.00 -0.277 N ATOM 36 C LIG 1 8.674 -0.356 -2.769 0.00 0.00 +0.134 C ATOM 37 C LIG 1 9.181 0.790 -0.551 0.00 0.00 +0.193 C ATOM 38 C LIG 1 9.299 0.172 0.877 0.00 0.00 +0.254 C ATOM 39 O LIG 1 10.332 0.240 1.546 0.00 0.00 -0.272 OA ATOM 40 S LIG 1 8.250 2.378 -0.392 0.00 0.00 -0.053 S ATOM 41 N LIG 1 8.108 -0.387 1.371 0.00 0.00 -0.279 N ATOM 42 C LIG 1 8.083 -0.858 2.745 0.00 0.00 +0.134 C ATOM 43 S LIG 1 6.568 1.726 0.602 0.00 0.00 -0.054 S BRANCH 37 44 ATOM 44 C LIG 1 10.610 1.063 -1.095 0.00 0.00 +0.203 C BRANCH 44 45 ATOM 45 O LIG 1 11.393 1.960 -0.303 0.00 0.00 -0.391 OA ATOM 46 H LIG 1 11.461 1.568 0.593 0.00 0.00 +0.210 HD ENDBRANCH 44 45 ENDBRANCH 37 44 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11