REMARK Name = BDB026888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.701 -0.118 -0.222 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.944 -1.479 0.413 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.613 -1.703 1.759 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.832 -2.951 2.347 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.374 -3.991 1.595 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.689 -3.789 0.253 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.470 -2.544 -0.337 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.430 -0.207 -1.184 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 0.267 0.482 -1.925 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 1.725 0.024 -0.545 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 2.857 -0.122 -1.570 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 6.694 0.553 0.263 0.00 0.00 +0.105 A ATOM 13 C LIG 1 6.123 -0.721 0.304 0.00 0.00 +0.029 A ATOM 14 C LIG 1 4.883 -0.938 -0.300 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.210 0.114 -0.940 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.789 1.391 -0.958 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.029 1.614 -0.356 0.00 0.00 +0.029 A BRANCH 12 18 ATOM 18 S LIG 1 8.247 0.840 1.059 0.00 0.00 +0.056 S ATOM 19 O LIG 1 8.466 -0.179 2.059 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 8.381 2.248 1.349 0.00 0.00 -0.153 OA BRANCH 18 21 ATOM 21 N LIG 1 9.337 0.517 -0.177 0.00 0.00 -0.204 NA ATOM 22 H LIG 1 9.864 1.361 -0.403 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 9.920 -0.281 0.075 0.00 0.00 +0.144 HD ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.957 0.440 -0.959 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -1.892 0.738 -2.157 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -3.198 0.680 -0.203 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -4.489 1.009 -0.745 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -5.380 1.150 0.321 0.00 0.00 +0.059 A ATOM 29 C LIG 1 -6.746 1.468 0.155 0.00 0.00 +0.079 A ATOM 30 C LIG 1 -7.189 1.642 -1.172 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -6.327 1.507 -2.256 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -4.659 0.922 1.472 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -5.048 0.953 2.407 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -4.982 1.192 -2.055 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -3.351 0.654 1.171 0.00 0.00 +0.095 A BRANCH 29 36 ATOM 36 C LIG 1 -7.722 1.623 1.293 0.00 0.00 +0.419 C ATOM 37 F LIG 1 -8.288 2.861 1.336 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.755 0.739 1.227 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -7.151 1.435 2.519 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10