REMARK Name = BDB062594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.516 1.841 -0.788 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 1 -2.003 1.466 -0.718 0.00 0.00 +0.194 C BRANCH 2 4 ATOM 3 C UNK A 0 -3.460 0.256 0.922 0.00 0.00 +0.401 C ATOM 4 N UNK A 1 -2.389 1.046 0.629 0.00 0.00 -0.267 N ATOM 5 H UNK A 1 -2.109 1.640 1.401 0.00 0.00 +0.153 HD ATOM 6 O UNK A 0 -3.852 0.115 2.071 0.00 0.00 -0.226 OA BRANCH 3 7 ATOM 7 O UNK A 0 -3.993 -0.321 -0.180 0.00 0.00 -0.445 OA BRANCH 7 9 ATOM 8 C UNK A 0 -5.449 -1.611 -1.522 0.00 0.00 +0.055 C ATOM 9 C UNK A 0 -5.159 -1.177 -0.077 0.00 0.00 +0.107 C ATOM 10 C UNK A 0 -4.863 -2.426 0.759 0.00 0.00 +0.055 C ATOM 11 C UNK A 0 -6.372 -0.404 0.454 0.00 0.00 +0.055 C ENDBRANCH 7 9 ENDBRANCH 3 7 ENDBRANCH 2 4 BRANCH 2 12 ATOM 12 C UNK A 1 -2.890 2.616 -1.201 0.00 0.00 +0.326 C ATOM 13 O UNK A 1 -3.773 3.186 -0.579 0.00 0.00 -0.249 OA BRANCH 12 14 ATOM 14 O UNK A 1 -2.642 2.969 -2.482 0.00 0.00 -0.479 OA ATOM 15 H UNK A 1 -3.290 3.687 -2.647 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 2 12 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 S UNK A 1 -0.043 3.144 0.417 0.00 0.00 -0.154 S BRANCH 16 17 ATOM 17 C UNK A 1 1.675 3.440 -0.112 0.00 0.00 +0.104 C BRANCH 17 18 ATOM 18 C UNK A 1 2.565 2.231 0.019 0.00 0.00 -0.038 A ATOM 19 C UNK A 1 2.899 1.720 1.280 0.00 0.00 +0.005 A ATOM 20 C UNK A 1 3.720 0.594 1.398 0.00 0.00 +0.009 A ATOM 21 C UNK A 1 4.235 -0.050 0.263 0.00 0.00 -0.018 A ATOM 22 C UNK A 1 3.903 0.473 -0.997 0.00 0.00 +0.009 A ATOM 23 C UNK A 1 3.080 1.598 -1.119 0.00 0.00 +0.005 A BRANCH 21 24 ATOM 24 C UNK A 1 5.097 -1.237 0.389 0.00 0.00 -0.018 A ATOM 25 C UNK A 1 4.682 -2.357 1.129 0.00 0.00 +0.008 A ATOM 26 C UNK A 1 5.498 -3.485 1.249 0.00 0.00 +0.001 A ATOM 27 C UNK A 1 6.745 -3.513 0.629 0.00 0.00 +0.000 A ATOM 28 C UNK A 1 7.176 -2.413 -0.109 0.00 0.00 +0.001 A ATOM 29 C UNK A 1 6.358 -1.286 -0.229 0.00 0.00 +0.008 A ENDBRANCH 21 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10