REMARK Name = BDB053326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.758 -1.857 -1.187 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.482 -2.671 -1.017 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -0.631 -1.978 -1.577 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 -2.622 -0.755 -1.310 0.00 0.00 -0.005 A ATOM 5 C LIG 1 -1.398 -1.184 -0.766 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -1.036 -0.763 0.515 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.885 0.059 1.263 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -3.115 0.482 0.746 0.00 0.00 -0.044 A ATOM 9 C LIG 1 -3.467 0.072 -0.546 0.00 0.00 +0.011 A BRANCH 8 10 ATOM 10 C LIG 1 -4.021 1.376 1.578 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -4.063 2.805 1.004 0.00 0.00 +0.008 C ATOM 12 C LIG 1 -5.204 3.606 1.619 0.00 0.00 +0.001 C ATOM 13 C LIG 1 -6.570 2.987 1.318 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -6.515 1.493 1.002 0.00 0.00 +0.001 C ATOM 15 C LIG 1 -5.428 0.775 1.797 0.00 0.00 +0.008 C ENDBRANCH 8 10 BRANCH 4 16 ATOM 16 C LIG 1 -3.064 -1.176 -2.695 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 17 C LIG 1 -4.933 -2.778 -2.022 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.614 -2.604 -2.762 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 4 16 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.965 -2.595 -0.621 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 4.158 -1.836 -0.815 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 4.536 -0.941 0.147 0.00 0.00 +0.121 A ATOM 22 C LIG 1 5.787 -0.351 -0.073 0.00 0.00 +0.054 A ATOM 23 C LIG 1 6.321 0.595 0.816 0.00 0.00 -0.003 A ATOM 24 C LIG 1 5.563 0.943 1.943 0.00 0.00 +0.009 A ATOM 25 C LIG 1 4.312 0.363 2.167 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.799 -0.576 1.271 0.00 0.00 +0.045 A BRANCH 23 27 ATOM 27 C LIG 1 7.631 1.203 0.556 0.00 0.00 +0.084 A ATOM 28 C LIG 1 8.765 0.615 0.139 0.00 0.00 +0.208 A ATOM 29 N LIG 1 9.815 1.466 -0.018 0.00 0.00 -0.287 N ATOM 30 H LIG 1 10.739 1.208 -0.324 0.00 0.00 +0.172 HD ATOM 31 C LIG 1 9.558 2.785 0.268 0.00 0.00 +0.291 A ATOM 32 O LIG 1 10.349 3.709 0.197 0.00 0.00 -0.260 OA ATOM 33 S LIG 1 7.871 2.922 0.767 0.00 0.00 -0.023 S BRANCH 28 34 ATOM 34 O LIG 1 8.949 -0.705 -0.122 0.00 0.00 -0.493 OA ATOM 35 H LIG 1 9.878 -0.832 -0.369 0.00 0.00 +0.294 HD ENDBRANCH 28 34 ENDBRANCH 23 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11