REMARK Name = BDB059796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.282 0.069 -0.607 0.00 0.00 -0.044 A ATOM 2 C LIG 1 0.571 -0.967 0.006 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -0.692 -0.745 0.569 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.306 0.509 0.494 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -0.594 1.548 -0.121 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.667 1.326 -0.683 0.00 0.00 +0.004 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.642 -0.152 -1.246 0.00 0.00 +0.082 C BRANCH 7 13 ATOM 8 C LIG 1 7.511 -1.095 -1.682 0.00 0.00 +0.134 C ATOM 9 N LIG 1 6.374 -0.739 -0.851 0.00 0.00 -0.277 N ATOM 10 C LIG 1 6.471 -0.807 0.625 0.00 0.00 +0.193 C ATOM 11 C LIG 1 5.607 0.340 1.238 0.00 0.00 +0.254 C ATOM 12 N LIG 1 4.380 0.554 0.575 0.00 0.00 -0.279 N ATOM 13 C LIG 1 3.916 -0.477 -0.395 0.00 0.00 +0.174 C ATOM 14 S LIG 1 3.757 -2.117 0.494 0.00 0.00 -0.054 S ATOM 15 C LIG 1 3.462 1.519 1.146 0.00 0.00 +0.134 C ATOM 16 O LIG 1 5.906 0.928 2.277 0.00 0.00 -0.272 OA ATOM 17 S LIG 1 5.680 -2.395 1.191 0.00 0.00 -0.053 S ATOM 18 C LIG 1 5.096 -0.684 -1.425 0.00 0.00 +0.252 C ATOM 19 O LIG 1 4.909 -0.874 -2.627 0.00 0.00 -0.272 OA BRANCH 10 20 ATOM 20 C LIG 1 7.899 -0.752 1.223 0.00 0.00 +0.203 C BRANCH 20 21 ATOM 21 O LIG 1 8.628 0.401 0.786 0.00 0.00 -0.391 OA ATOM 22 H LIG 1 9.348 0.546 1.426 0.00 0.00 +0.210 HD ENDBRANCH 20 21 ENDBRANCH 10 20 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.664 0.782 1.116 0.00 0.00 +0.082 C BRANCH 23 24 ATOM 24 C LIG 1 -3.978 0.144 0.552 0.00 0.00 +0.174 C ATOM 25 C LIG 1 -5.148 0.641 1.488 0.00 0.00 +0.252 C ATOM 26 O LIG 1 -4.958 1.133 2.600 0.00 0.00 -0.272 OA ATOM 27 N LIG 1 -6.441 0.393 0.998 0.00 0.00 -0.277 N ATOM 28 C LIG 1 -7.584 0.694 1.843 0.00 0.00 +0.134 C ATOM 29 C LIG 1 -6.581 -0.491 -0.187 0.00 0.00 +0.193 C ATOM 30 C LIG 1 -5.657 0.110 -1.293 0.00 0.00 +0.254 C ATOM 31 O LIG 1 -5.975 0.180 -2.478 0.00 0.00 -0.272 OA ATOM 32 S LIG 1 -5.922 -2.173 0.241 0.00 0.00 -0.053 S ATOM 33 N LIG 1 -4.386 0.511 -0.833 0.00 0.00 -0.279 N ATOM 34 C LIG 1 -3.415 0.959 -1.811 0.00 0.00 +0.134 C ATOM 35 S LIG 1 -3.971 -1.713 0.711 0.00 0.00 -0.054 S BRANCH 29 36 ATOM 36 C LIG 1 -8.034 -0.653 -0.713 0.00 0.00 +0.203 C BRANCH 36 37 ATOM 37 O LIG 1 -8.221 -1.658 -1.713 0.00 0.00 -0.391 OA ATOM 38 H LIG 1 -7.747 -2.461 -1.432 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8