REMARK Name = BDB065136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.527 -0.016 0.177 0.00 0.00 +0.077 C ATOM 2 C LIG 1 -1.232 -0.455 1.552 0.00 0.00 +0.112 C ATOM 3 C LIG 1 -1.258 0.730 2.546 0.00 0.00 +0.039 C ATOM 4 C LIG 1 0.118 1.321 2.807 0.00 0.00 +0.003 C ATOM 5 C LIG 1 0.839 1.712 1.520 0.00 0.00 +0.005 C ATOM 6 C LIG 1 0.921 0.542 0.507 0.00 0.00 +0.011 C ATOM 7 C LIG 1 1.933 0.808 -0.717 0.00 0.00 -0.025 C ATOM 8 C LIG 1 1.752 2.217 -1.328 0.00 0.00 +0.012 C ATOM 9 C LIG 1 1.816 -0.322 -1.815 0.00 0.00 -0.004 C ATOM 10 C LIG 1 2.353 0.047 -3.213 0.00 0.00 +0.008 C ATOM 11 C LIG 1 0.397 -0.866 -2.046 0.00 0.00 +0.049 C ATOM 12 C LIG 1 -0.323 -1.245 -0.757 0.00 0.00 +0.189 C ENDROOT BRANCH 2 13 ATOM 13 O LIG 1 -2.612 -0.805 1.335 0.00 0.00 -0.384 OA ATOM 14 H LIG 1 -2.948 -1.174 2.173 0.00 0.00 +0.210 HD ENDBRANCH 2 13 BRANCH 1 15 ATOM 15 C LIG 1 -1.395 1.083 -0.534 0.00 0.00 +0.246 C BRANCH 15 16 ATOM 16 O LIG 1 -2.698 0.628 -0.918 0.00 0.00 -0.461 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.486 1.576 -1.483 0.00 0.00 +0.335 C ATOM 18 O LIG 1 -3.149 2.729 -1.712 0.00 0.00 -0.245 OA BRANCH 17 21 ATOM 19 C LIG 1 -6.984 1.401 -3.121 0.00 0.00 +0.036 C ATOM 20 C LIG 1 -5.611 1.731 -2.631 0.00 0.00 -0.020 C ATOM 21 C LIG 1 -4.832 1.006 -1.802 0.00 0.00 +0.029 C ATOM 22 C LIG 1 -5.203 -0.292 -1.153 0.00 0.00 +0.051 C ENDBRANCH 17 21 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 2 23 ATOM 23 C LIG 1 -0.592 -1.715 2.216 0.00 0.00 +0.267 C BRANCH 23 24 ATOM 24 O LIG 1 -1.297 -2.027 3.442 0.00 0.00 -0.462 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.544 -2.111 4.573 0.00 0.00 +0.304 C ATOM 26 O LIG 1 0.660 -1.917 4.645 0.00 0.00 -0.251 OA ATOM 27 C LIG 1 -1.415 -2.465 5.739 0.00 0.00 +0.136 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 BRANCH 7 28 ATOM 28 C LIG 1 3.386 0.766 -0.066 0.00 0.00 +0.011 C BRANCH 28 29 ATOM 29 C LIG 1 4.616 0.825 -0.981 0.00 0.00 +0.035 C BRANCH 29 30 ATOM 30 C LIG 1 5.888 0.961 -0.203 0.00 0.00 -0.026 C ATOM 31 C LIG 1 6.402 -0.112 0.677 0.00 0.00 +0.264 C ATOM 32 O LIG 1 7.629 0.410 1.188 0.00 0.00 -0.457 OA ATOM 33 C LIG 1 7.831 1.656 0.681 0.00 0.00 +0.332 C ATOM 34 O LIG 1 8.780 2.379 0.919 0.00 0.00 -0.246 OA ATOM 35 C LIG 1 6.723 1.999 -0.208 0.00 0.00 +0.094 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 7 28 BRANCH 12 36 ATOM 36 O LIG 1 -1.576 -1.856 -1.109 0.00 0.00 -0.461 OA BRANCH 36 37 ATOM 37 C LIG 1 -1.591 -3.209 -1.231 0.00 0.00 +0.304 C ATOM 38 O LIG 1 -0.630 -3.949 -1.073 0.00 0.00 -0.251 OA ATOM 39 C LIG 1 -2.969 -3.677 -1.581 0.00 0.00 +0.136 C ENDBRANCH 36 37 ENDBRANCH 12 36 TORSDOF 13