REMARK Name = BDB033581 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.689 -0.719 0.762 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.611 -0.364 0.312 0.00 0.00 +0.106 A ATOM 3 C LIG 1 0.914 -1.340 -0.620 0.00 0.00 +0.176 A ATOM 4 C LIG 1 2.104 -1.407 -1.336 0.00 0.00 +0.096 A ATOM 5 C LIG 1 3.028 -0.395 -1.067 0.00 0.00 +0.138 A ATOM 6 C LIG 1 2.751 0.638 -0.159 0.00 0.00 +0.093 A ATOM 7 O LIG 1 -0.127 -2.207 -0.719 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.555 0.647 0.577 0.00 0.00 +0.145 A ATOM 9 N LIG 1 -1.135 -1.817 0.146 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.402 0.001 1.711 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -1.059 0.921 1.979 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -3.033 -0.214 2.020 0.00 0.00 +0.081 S ATOM 13 O LIG 1 -3.194 -1.562 2.525 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -3.436 0.921 2.830 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -4.768 -0.936 -0.016 0.00 0.00 +0.150 A ATOM 16 C LIG 1 -3.819 -0.019 0.446 0.00 0.00 +0.191 A ATOM 17 C LIG 1 -3.493 1.089 -0.350 0.00 0.00 +0.150 A ATOM 18 C LIG 1 -4.060 1.241 -1.620 0.00 0.00 +0.048 A ATOM 19 C LIG 1 -5.000 0.321 -2.077 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -5.367 -0.753 -1.270 0.00 0.00 +0.048 A BRANCH 15 22 ATOM 21 C LIG 1 -4.734 -3.219 0.320 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -5.231 -1.955 0.768 0.00 0.00 -0.493 OA ENDBRANCH 15 22 BRANCH 17 23 ATOM 23 O LIG 1 -2.568 2.012 0.069 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -3.196 3.258 0.383 0.00 0.00 +0.277 C ENDBRANCH 17 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 5 25 ATOM 25 O LIG 1 4.199 -0.409 -1.792 0.00 0.00 -0.436 OA BRANCH 25 26 ATOM 26 C LIG 1 5.385 -0.489 -1.069 0.00 0.00 +0.240 A ATOM 27 N LIG 1 5.373 -0.729 0.263 0.00 0.00 -0.111 NA ATOM 28 N LIG 1 6.552 -0.804 0.945 0.00 0.00 -0.154 NA ATOM 29 C LIG 1 7.713 -0.652 0.275 0.00 0.00 +0.135 A ATOM 30 C LIG 1 7.761 -0.416 -1.087 0.00 0.00 +0.027 A ATOM 31 C LIG 1 6.561 -0.333 -1.780 0.00 0.00 +0.071 A ENDBRANCH 25 26 ENDBRANCH 5 25 BRANCH 8 32 ATOM 32 O LIG 1 1.237 1.610 1.498 0.00 0.00 -0.433 OA BRANCH 32 33 ATOM 33 C LIG 1 2.332 2.027 2.307 0.00 0.00 +0.541 C ATOM 34 F LIG 1 1.805 2.607 3.414 0.00 0.00 -0.166 F ATOM 35 F LIG 1 3.009 2.999 1.647 0.00 0.00 -0.166 F ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9