REMARK Name = BDB057660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.560 -0.131 0.817 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.018 1.060 0.383 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.241 1.042 -0.298 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.905 -0.166 -0.552 0.00 0.00 -0.043 A ATOM 5 C LIG 1 -1.317 -1.358 -0.118 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.096 -1.336 0.562 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.743 -0.256 1.490 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.462 0.947 1.778 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.750 0.584 2.516 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.179 -2.493 1.198 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.934 -1.234 1.091 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.792 0.037 1.605 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.814 0.837 1.141 0.00 0.00 -0.213 NA ATOM 14 C LIG 1 6.533 0.037 0.372 0.00 0.00 +0.234 A ATOM 15 O LIG 1 6.046 -1.242 0.299 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.744 0.345 -0.384 0.00 0.00 +0.074 A ATOM 17 S LIG 1 8.491 -0.954 -1.355 0.00 0.00 -0.092 S ATOM 18 C LIG 1 9.889 -0.136 -2.070 0.00 0.00 +0.046 A ATOM 19 C LIG 1 10.204 1.200 -1.841 0.00 0.00 +0.007 A ATOM 20 C LIG 1 9.451 2.048 -1.020 0.00 0.00 +0.002 A ATOM 21 C LIG 1 8.293 1.639 -0.336 0.00 0.00 +0.020 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.223 -0.171 -1.289 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 -4.531 -0.260 -0.446 0.00 0.00 +0.207 C ATOM 24 C LIG 1 -4.540 0.818 0.647 0.00 0.00 +0.068 C BRANCH 23 25 ATOM 25 C LIG 1 -4.613 -1.687 0.123 0.00 0.00 +0.349 C ATOM 26 O LIG 1 -4.261 -2.024 1.243 0.00 0.00 -0.246 OA BRANCH 25 27 ATOM 27 O LIG 1 -5.129 -2.581 -0.762 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 -5.458 -2.130 -1.570 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 23 25 BRANCH 23 29 ATOM 29 O LIG 1 -5.571 -0.028 -1.427 0.00 0.00 -0.474 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.891 0.082 -1.097 0.00 0.00 +0.122 A ATOM 31 C LIG 1 -7.672 0.711 -2.071 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -9.047 0.874 -1.890 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.653 0.398 -0.732 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.884 -0.242 0.237 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.506 -0.405 0.055 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11