REMARK Name = BDB057097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.581 1.444 0.219 0.00 0.00 +0.110 A ATOM 2 C LIG 1 0.059 0.967 -0.988 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -1.317 1.074 -1.229 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.157 1.657 -0.271 0.00 0.00 +0.137 A ATOM 5 C LIG 1 -1.613 2.155 0.920 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -0.243 2.046 1.171 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 S LIG 1 -2.002 0.419 -2.740 0.00 0.00 +0.075 S ATOM 8 O LIG 1 -3.173 -0.359 -2.385 0.00 0.00 -0.243 OA ATOM 9 N LIG 1 -0.839 -0.177 -3.561 0.00 0.00 -0.248 NA ATOM 10 H LIG 1 -0.575 -1.093 -3.190 0.00 0.00 +0.197 HD ATOM 11 C LIG 1 -2.542 1.873 -3.615 0.00 0.00 +0.138 C ENDBRANCH 3 7 BRANCH 1 12 ATOM 12 S LIG 1 2.335 1.315 0.498 0.00 0.00 +0.075 S ATOM 13 O LIG 1 2.966 1.844 -0.694 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 2.616 1.869 1.808 0.00 0.00 -0.150 OA BRANCH 12 15 ATOM 15 N LIG 1 2.571 -0.397 0.583 0.00 0.00 -0.203 N BRANCH 15 19 ATOM 16 C LIG 1 6.635 -1.323 -0.291 0.00 0.00 -0.048 A ATOM 17 C LIG 1 5.624 -1.512 -1.244 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.293 -1.211 -0.937 0.00 0.00 +0.025 A ATOM 19 C LIG 1 3.954 -0.741 0.333 0.00 0.00 +0.051 A ATOM 20 C LIG 1 4.958 -0.533 1.284 0.00 0.00 +0.025 A ATOM 21 C LIG 1 6.290 -0.832 0.975 0.00 0.00 +0.005 A BRANCH 16 23 ATOM 22 C LIG 1 8.527 -2.962 -0.042 0.00 0.00 +0.009 C ATOM 23 C LIG 1 8.073 -1.631 -0.624 0.00 0.00 +0.032 C ENDBRANCH 16 23 ENDBRANCH 15 19 BRANCH 15 24 ATOM 24 C LIG 1 1.943 -1.052 1.776 0.00 0.00 +0.134 C BRANCH 24 25 ATOM 25 C LIG 1 1.332 -2.432 1.460 0.00 0.00 +0.002 C ATOM 26 C LIG 1 0.280 -2.370 0.352 0.00 0.00 +0.009 C ATOM 27 C LIG 1 2.373 -3.510 1.154 0.00 0.00 +0.009 C ENDBRANCH 24 25 ENDBRANCH 15 24 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 4 28 ATOM 28 O LIG 1 -3.484 1.819 -0.552 0.00 0.00 -0.490 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.354 1.301 0.466 0.00 0.00 +0.232 C BRANCH 29 30 ATOM 30 C LIG 1 -5.737 1.026 -0.154 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -6.714 0.476 0.899 0.00 0.00 +0.035 C ATOM 32 C LIG 1 -7.618 1.561 1.484 0.00 0.00 +0.160 C ATOM 33 O LIG 1 -6.931 2.807 1.523 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 -6.694 3.344 0.219 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -6.340 2.272 -0.812 0.00 0.00 +0.035 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10