REMARK Name = BDB047673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.804 -0.888 2.625 0.00 0.00 -0.491 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -2.781 -0.294 1.367 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -3.974 -0.815 0.836 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -4.368 -2.145 0.902 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -5.620 -2.217 0.234 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -5.916 -0.945 -0.211 0.00 0.00 +0.136 A ATOM 7 C LIG 1 -3.538 -3.067 1.555 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -2.341 -2.604 2.108 0.00 0.00 +0.047 A ATOM 9 O LIG 1 -4.924 -0.092 0.177 0.00 0.00 -0.454 OA ATOM 10 C LIG 1 -1.971 -1.258 2.001 0.00 0.00 +0.127 A BRANCH 6 11 ATOM 11 C LIG 1 -7.005 -0.358 -0.990 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -8.061 -1.155 -1.459 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -9.089 -0.604 -2.228 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -9.078 0.753 -2.536 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -8.044 1.560 -2.079 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.017 1.008 -1.311 0.00 0.00 +0.011 A ENDBRANCH 6 11 BRANCH 2 17 ATOM 17 C LIG 1 -2.438 1.173 1.329 0.00 0.00 +0.042 C BRANCH 17 19 ATOM 18 C LIG 1 -1.258 1.260 -0.936 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -2.384 1.800 -0.071 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 2 17 ENDBRANCH 1 10 BRANCH 1 20 ATOM 20 C LIG 1 0.310 -1.018 1.732 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.583 -0.948 2.566 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 2.833 -0.896 1.699 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 2.831 0.337 0.971 0.00 0.00 -0.491 OA BRANCH 23 24 ATOM 24 C LIG 1 4.125 0.765 0.762 0.00 0.00 +0.130 A ATOM 25 C LIG 1 4.880 0.336 -0.349 0.00 0.00 +0.041 A ATOM 26 C LIG 1 4.625 -0.528 -1.448 0.00 0.00 +0.031 A ATOM 27 C LIG 1 5.760 -0.569 -2.222 0.00 0.00 +0.087 A ATOM 28 N LIG 1 6.702 0.237 -1.634 0.00 0.00 -0.336 N ATOM 29 C LIG 1 6.187 0.815 -0.493 0.00 0.00 +0.053 A ATOM 30 C LIG 1 6.753 1.714 0.424 0.00 0.00 +0.026 A ATOM 31 C LIG 1 5.965 2.147 1.497 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.663 1.688 1.662 0.00 0.00 +0.046 A BRANCH 28 33 ATOM 33 C LIG 1 8.029 0.477 -2.174 0.00 0.00 +0.242 C BRANCH 33 34 ATOM 34 C LIG 1 9.084 -0.283 -1.427 0.00 0.00 +0.325 C ATOM 35 O LIG 1 9.838 0.169 -0.581 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O LIG 1 9.156 -1.582 -1.777 0.00 0.00 -0.479 OA ATOM 37 H LIG 1 9.844 -1.958 -1.188 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 12