REMARK Name = BDB040735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.950 -0.733 -1.120 0.00 0.00 +0.000 C ATOM 2 C LIG 1 3.128 0.212 -1.425 0.00 0.00 +0.000 C ATOM 3 N LIG 1 3.994 -0.836 -0.965 0.00 0.00 +0.000 N ATOM 4 C LIG 1 2.949 -1.461 -0.199 0.00 0.00 +0.000 C ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 5.359 -0.739 -0.629 0.00 0.00 +0.000 A ATOM 6 C LIG 1 6.166 0.263 -1.177 0.00 0.00 +0.000 A ATOM 7 C LIG 1 7.520 0.342 -0.849 0.00 0.00 +0.000 A ATOM 8 F LIG 1 8.252 1.329 -1.387 0.00 0.00 +0.000 F ATOM 9 C LIG 1 8.119 -0.567 0.023 0.00 0.00 +0.000 A ATOM 10 C LIG 1 7.309 -1.567 0.556 0.00 0.00 +0.000 A ATOM 11 F LIG 1 7.830 -2.464 1.406 0.00 0.00 +0.000 F ATOM 12 C LIG 1 5.954 -1.661 0.239 0.00 0.00 +0.000 A BRANCH 9 13 ATOM 13 C LIG 1 9.587 -0.488 0.378 0.00 0.00 +0.000 C ATOM 14 C LIG 1 10.489 -0.562 -0.852 0.00 0.00 +0.000 C ATOM 15 O LIG 1 10.225 -1.231 -1.849 0.00 0.00 +0.000 OA ATOM 16 N LIG 1 11.690 0.105 -0.770 0.00 0.00 +0.000 N ATOM 17 H LIG 1 12.291 0.025 -1.579 0.00 0.00 +0.000 HD ATOM 18 C LIG 1 12.228 0.746 0.316 0.00 0.00 +0.000 C ATOM 19 O LIG 1 13.374 1.185 0.291 0.00 0.00 +0.000 OA ATOM 20 C LIG 1 11.369 0.806 1.555 0.00 0.00 +0.000 C ATOM 21 C LIG 1 9.892 0.771 1.198 0.00 0.00 +0.000 C ENDBRANCH 9 13 ENDBRANCH 3 5 BRANCH 1 23 ATOM 22 C LIG 1 -0.113 -0.816 0.270 0.00 0.00 +0.000 C ATOM 23 N LIG 1 0.798 -0.104 -0.452 0.00 0.00 +0.000 N ATOM 24 H LIG 1 0.606 0.886 -0.516 0.00 0.00 +0.000 HD ATOM 25 O LIG 1 -0.071 -2.021 0.458 0.00 0.00 +0.000 OA BRANCH 22 26 ATOM 26 O LIG 1 -1.063 0.028 0.738 0.00 0.00 +0.000 OA BRANCH 26 27 ATOM 27 C LIG 1 -2.092 -0.577 1.540 0.00 0.00 +0.000 C BRANCH 27 30 ATOM 28 C LIG 1 -5.293 -0.909 0.158 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -4.507 -1.516 1.350 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.204 -1.083 0.639 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.051 -0.012 -0.089 0.00 0.00 +0.000 C BRANCH 28 32 ATOM 32 O LIG 1 -6.518 -0.244 0.529 0.00 0.00 +0.000 OA BRANCH 32 33 ATOM 33 SI LIG 1 -7.521 0.368 -0.667 0.00 0.00 +0.000 Si ATOM 34 C LIG 1 -8.176 -0.975 -1.801 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.696 1.720 -1.671 0.00 0.00 +0.000 C BRANCH 33 37 ATOM 36 C LIG 1 -8.668 2.366 1.192 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -9.166 1.227 0.279 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -9.866 0.143 1.126 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -10.137 1.782 -0.781 0.00 0.00 +0.000 C ENDBRANCH 33 37 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 1 23 TORSDOF 9