REMARK Name = BDB045537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.481 0.126 -2.334 0.00 0.00 +0.272 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.023 0.366 -2.246 0.00 0.00 +0.303 C BRANCH 2 3 ATOM 3 O LIG 1 -0.512 -0.182 -1.019 0.00 0.00 -0.390 OA BRANCH 3 6 ATOM 4 C LIG 1 -1.557 -1.033 1.252 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -2.409 -0.491 0.121 0.00 0.00 +0.084 C ATOM 6 N LIG 1 -1.908 -0.058 -1.001 0.00 0.00 -0.089 NA BRANCH 5 7 ATOM 7 C LIG 1 -3.891 -0.460 0.301 0.00 0.00 -0.001 A ATOM 8 C LIG 1 -4.638 0.510 -0.375 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -6.028 0.558 -0.230 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -6.704 -0.364 0.584 0.00 0.00 -0.018 A ATOM 11 C LIG 1 -5.941 -1.341 1.246 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -4.549 -1.393 1.105 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -8.167 -0.315 0.734 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -8.764 -0.255 1.998 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -10.147 -0.209 2.088 0.00 0.00 +0.111 A ATOM 16 N LIG 1 -10.970 -0.222 1.020 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -10.383 -0.280 -0.192 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -9.010 -0.326 -0.384 0.00 0.00 +0.028 A ENDBRANCH 10 13 ENDBRANCH 5 7 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 2.145 0.998 -1.414 0.00 0.00 -0.489 OA BRANCH 19 20 ATOM 20 C LIG 1 3.508 0.916 -1.351 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.101 1.778 -0.427 0.00 0.00 +0.046 A ATOM 22 C LIG 1 5.487 1.800 -0.258 0.00 0.00 +0.007 A ATOM 23 C LIG 1 6.306 0.959 -1.022 0.00 0.00 -0.042 A ATOM 24 C LIG 1 5.707 0.092 -1.944 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.317 0.071 -2.110 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 7.804 0.968 -0.826 0.00 0.00 +0.083 C BRANCH 26 27 ATOM 27 C LIG 1 8.256 0.100 0.305 0.00 0.00 +0.058 A ATOM 28 C LIG 1 8.650 0.491 1.525 0.00 0.00 +0.204 A ATOM 29 N LIG 1 9.035 -0.519 2.350 0.00 0.00 -0.287 N ATOM 30 H LIG 1 9.356 -0.413 3.298 0.00 0.00 +0.172 HD ATOM 31 C LIG 1 8.974 -1.782 1.812 0.00 0.00 +0.291 A ATOM 32 O LIG 1 9.274 -2.824 2.369 0.00 0.00 -0.260 OA ATOM 33 S LIG 1 8.392 -1.642 0.150 0.00 0.00 -0.028 S BRANCH 28 34 ATOM 34 O LIG 1 8.689 1.770 1.978 0.00 0.00 -0.493 OA ATOM 35 H LIG 1 8.974 1.742 2.905 0.00 0.00 +0.294 HD ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10