REMARK Name = BDB046436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.171 -0.392 -0.566 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.152 -1.337 -0.895 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -2.095 -2.023 -0.876 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.162 -0.978 -0.767 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -1.621 0.325 -0.562 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -2.992 0.595 -0.444 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.922 -0.435 -0.534 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -3.466 -1.737 -0.748 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -1.662 -3.456 -1.093 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -0.871 -5.586 -0.004 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -1.298 -4.145 0.223 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -5.278 -0.322 -0.431 0.00 0.00 -0.489 OA BRANCH 12 13 ATOM 13 C LIG 1 -5.871 0.970 -0.240 0.00 0.00 +0.173 C ATOM 14 C LIG 1 -5.833 1.333 1.256 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -7.035 2.169 1.675 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -8.347 1.414 1.459 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -8.298 0.437 0.283 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -7.309 0.891 -0.786 0.00 0.00 +0.044 C ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.603 0.373 -1.815 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 2.638 1.447 -1.502 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 3.788 0.828 -0.931 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 4.821 1.646 -0.562 0.00 0.00 +0.121 A ATOM 23 C LIG 1 5.901 0.986 0.035 0.00 0.00 +0.054 A ATOM 24 C LIG 1 7.037 1.685 0.473 0.00 0.00 -0.003 A ATOM 25 C LIG 1 7.066 3.076 0.294 0.00 0.00 +0.009 A ATOM 26 C LIG 1 5.993 3.741 -0.303 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.872 3.028 -0.731 0.00 0.00 +0.045 A BRANCH 24 28 ATOM 28 C LIG 1 8.151 0.971 1.105 0.00 0.00 +0.084 A ATOM 29 C LIG 1 8.724 -0.189 0.742 0.00 0.00 +0.208 A ATOM 30 N LIG 1 9.740 -0.594 1.551 0.00 0.00 -0.287 N ATOM 31 H LIG 1 10.281 -1.436 1.438 0.00 0.00 +0.172 HD ATOM 32 C LIG 1 10.020 0.234 2.611 0.00 0.00 +0.291 A ATOM 33 O LIG 1 10.883 0.065 3.455 0.00 0.00 -0.260 OA ATOM 34 S LIG 1 8.911 1.606 2.547 0.00 0.00 -0.023 S BRANCH 29 35 ATOM 35 O LIG 1 8.394 -0.959 -0.328 0.00 0.00 -0.493 OA ATOM 36 H LIG 1 9.009 -1.707 -0.356 0.00 0.00 +0.294 HD ENDBRANCH 29 35 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12