REMARK Name = BDB000165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.957 -0.863 0.621 0.00 0.00 +0.016 C ATOM 2 C LIG 1 -2.018 -0.367 -0.202 0.00 0.00 +0.009 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -6.584 0.098 1.092 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -5.424 -0.607 0.744 0.00 0.00 +0.169 A ATOM 5 C LIG 1 -4.148 -0.096 1.018 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -4.080 1.133 1.690 0.00 0.00 +0.169 A ATOM 7 C LIG 1 -5.246 1.829 2.028 0.00 0.00 +0.163 A ATOM 8 C LIG 1 -6.505 1.327 1.733 0.00 0.00 +0.098 A BRANCH 3 9 ATOM 9 O LIG 1 -7.788 -0.472 0.777 0.00 0.00 -0.503 OA ATOM 10 H LIG 1 -8.493 0.131 1.074 0.00 0.00 +0.292 HD ENDBRANCH 3 9 BRANCH 4 11 ATOM 11 O LIG 1 -5.571 -1.820 0.117 0.00 0.00 -0.503 OA ATOM 12 H LIG 1 -6.538 -1.935 0.025 0.00 0.00 +0.292 HD ENDBRANCH 4 11 BRANCH 6 13 ATOM 13 O LIG 1 -2.898 1.718 2.078 0.00 0.00 -0.503 OA ATOM 14 H LIG 1 -2.188 1.067 1.929 0.00 0.00 +0.292 HD ENDBRANCH 6 13 BRANCH 7 15 ATOM 15 O LIG 1 -5.153 3.030 2.677 0.00 0.00 -0.503 OA ATOM 16 H LIG 1 -4.190 3.177 2.780 0.00 0.00 +0.292 HD ENDBRANCH 7 15 ENDBRANCH 1 5 BRANCH 2 17 ATOM 17 C LIG 1 -0.829 -1.115 -0.634 0.00 0.00 -0.025 A ATOM 18 C LIG 1 0.373 -0.419 -0.832 0.00 0.00 +0.011 A ATOM 19 C LIG 1 1.530 -1.083 -1.269 0.00 0.00 -0.046 A ATOM 20 C LIG 1 1.475 -2.460 -1.511 0.00 0.00 +0.004 A ATOM 21 C LIG 1 0.281 -3.157 -1.336 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -0.866 -2.487 -0.906 0.00 0.00 +0.008 A BRANCH 19 23 ATOM 23 C LIG 1 2.824 -0.326 -1.448 0.00 0.00 +0.040 C BRANCH 23 24 ATOM 24 C LIG 1 3.641 -0.294 -0.154 0.00 0.00 +0.040 C BRANCH 24 25 ATOM 25 C LIG 1 4.934 0.464 -0.332 0.00 0.00 -0.047 A ATOM 26 C LIG 1 4.983 1.847 -0.109 0.00 0.00 +0.003 A ATOM 27 C LIG 1 6.175 2.550 -0.293 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.325 1.879 -0.704 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.285 0.505 -0.934 0.00 0.00 +0.000 A ATOM 30 C LIG 1 6.094 -0.200 -0.751 0.00 0.00 +0.003 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 2 17 TORSDOF 9