REMARK Name = BDB057331 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.341 -2.025 -0.174 0.00 0.00 +0.000 A ATOM 2 C LIG 1 0.030 -0.659 -0.304 0.00 0.00 +0.000 A ATOM 3 C LIG 1 1.031 0.267 -0.628 0.00 0.00 +0.000 A ATOM 4 C LIG 1 2.351 -0.151 -0.820 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.657 -1.510 -0.704 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.661 -2.439 -0.380 0.00 0.00 +0.000 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.374 0.837 -1.174 0.00 0.00 +0.000 C ATOM 8 C LIG 1 4.446 1.161 -0.440 0.00 0.00 +0.000 C ATOM 9 C LIG 1 5.418 2.196 -0.886 0.00 0.00 +0.000 C ATOM 10 O LIG 1 5.359 2.823 -1.930 0.00 0.00 +0.000 OA ATOM 11 N LIG 1 6.397 2.341 0.056 0.00 0.00 +0.000 N ATOM 12 H LIG 1 7.142 3.006 -0.087 0.00 0.00 +0.000 HD ATOM 13 C LIG 1 6.331 1.570 1.175 0.00 0.00 +0.000 C ATOM 14 S LIG 1 7.442 1.631 2.400 0.00 0.00 +0.000 S ATOM 15 S LIG 1 4.922 0.537 1.099 0.00 0.00 +0.000 S ENDBRANCH 4 7 BRANCH 1 17 ATOM 16 C LIG 1 -0.398 -4.241 0.325 0.00 0.00 +0.000 C ATOM 17 O LIG 1 -0.696 -2.864 0.145 0.00 0.00 +0.000 OA ENDBRANCH 1 17 BRANCH 2 18 ATOM 18 C LIG 1 -1.306 -0.173 -0.111 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -2.423 0.238 0.051 0.00 0.00 +0.000 C BRANCH 19 20 ATOM 20 SI LIG 1 -4.187 0.853 0.311 0.00 0.00 +0.000 Si ATOM 21 C LIG 1 -4.152 2.575 1.056 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -5.087 0.910 -1.334 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -5.096 -0.305 1.474 0.00 0.00 +0.000 C ENDBRANCH 19 20 ENDBRANCH 2 18 TORSDOF 4