REMARK Name = BDB047028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.771 -1.903 -0.420 0.00 0.00 -0.488 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.556 -1.772 1.113 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.835 -1.180 0.058 0.00 0.00 +0.162 A ATOM 4 C LIG 1 -3.241 0.061 -0.438 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -4.341 0.720 0.116 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -5.053 0.153 1.176 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -4.654 -1.100 1.666 0.00 0.00 +0.053 A BRANCH 2 9 ATOM 8 C LIG 1 -3.897 -3.701 2.482 0.00 0.00 +0.277 C ATOM 9 O LIG 1 -3.096 -2.991 1.548 0.00 0.00 -0.491 OA ENDBRANCH 2 9 BRANCH 6 10 ATOM 10 C LIG 1 -6.234 0.875 1.791 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 -5.882 2.147 2.587 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 -4.815 1.843 3.649 0.00 0.00 +0.334 C ATOM 13 O LIG 1 -3.741 2.402 3.807 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 -5.195 0.875 4.514 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 -4.422 0.794 5.113 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 -5.561 3.186 1.659 0.00 0.00 -0.368 OA ATOM 17 C LIG 1 -5.565 4.482 2.242 0.00 0.00 +0.195 C ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -0.815 -1.273 -1.270 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 C LIG 1 0.145 -0.375 -0.488 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.958 -1.155 0.546 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.806 -2.121 -0.076 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.047 -1.742 -0.503 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.817 -2.784 -1.032 0.00 0.00 +0.049 A ATOM 24 C LIG 1 5.105 -2.547 -1.515 0.00 0.00 +0.050 A ATOM 25 C LIG 1 5.625 -1.256 -1.488 0.00 0.00 +0.129 A ATOM 26 C LIG 1 4.874 -0.212 -0.945 0.00 0.00 +0.050 A ATOM 27 C LIG 1 3.583 -0.455 -0.461 0.00 0.00 +0.049 A BRANCH 25 28 ATOM 28 O LIG 1 6.911 -1.088 -1.948 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 7.147 -0.021 -2.786 0.00 0.00 +0.128 A ATOM 30 C LIG 1 8.279 0.751 -2.526 0.00 0.00 +0.046 A ATOM 31 C LIG 1 8.593 1.826 -3.358 0.00 0.00 +0.004 A ATOM 32 C LIG 1 7.783 2.118 -4.456 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.664 1.330 -4.729 0.00 0.00 +0.004 A ATOM 34 C LIG 1 6.347 0.254 -3.898 0.00 0.00 +0.046 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 14