REMARK Name = BDB057707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.109 0.170 1.494 0.00 0.00 +0.284 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -0.328 0.349 3.451 0.00 0.00 -0.247 OA ATOM 3 C LIG 1 0.734 -0.014 2.966 0.00 0.00 +0.346 C BRANCH 3 4 ATOM 4 O LIG 1 1.695 -0.626 3.700 0.00 0.00 -0.478 OA ATOM 5 H LIG 1 2.472 -0.816 3.130 0.00 0.00 +0.295 HD ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 6 ATOM 6 O LIG 1 2.481 -0.254 1.371 0.00 0.00 -0.478 OA BRANCH 6 7 ATOM 7 C LIG 1 3.263 0.321 0.406 0.00 0.00 +0.122 A ATOM 8 C LIG 1 2.829 1.171 -0.613 0.00 0.00 +0.047 A ATOM 9 C LIG 1 3.746 1.683 -1.538 0.00 0.00 +0.023 A ATOM 10 C LIG 1 5.094 1.343 -1.448 0.00 0.00 +0.041 A ATOM 11 CL LIG 1 6.215 1.974 -2.588 0.00 0.00 -0.084 Cl ATOM 12 C LIG 1 5.534 0.490 -0.441 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.617 -0.020 0.482 0.00 0.00 +0.047 A ENDBRANCH 6 7 ENDBRANCH 1 6 BRANCH 1 14 ATOM 14 C LIG 1 0.225 -0.707 0.607 0.00 0.00 +0.097 C BRANCH 14 15 ATOM 15 C LIG 1 -1.228 -0.241 0.557 0.00 0.00 +0.233 C BRANCH 15 16 ATOM 16 O LIG 1 -1.874 -0.973 -0.486 0.00 0.00 -0.492 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.188 -0.677 -0.728 0.00 0.00 +0.121 A ATOM 18 C LIG 1 -3.980 0.206 0.007 0.00 0.00 +0.045 A ATOM 19 C LIG 1 -5.316 0.415 -0.352 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -5.864 -0.257 -1.443 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.079 -1.142 -2.177 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.746 -1.351 -1.818 0.00 0.00 +0.045 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 8