REMARK Name = BDB062595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 -0.173 3.680 -1.177 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 1 1.021 2.760 -1.154 0.00 0.00 -0.038 A ATOM 3 C UNK A 1 1.848 2.629 -2.278 0.00 0.00 +0.005 A ATOM 4 C UNK A 1 2.956 1.777 -2.255 0.00 0.00 +0.008 A ATOM 5 C UNK A 1 3.272 1.048 -1.102 0.00 0.00 -0.025 A ATOM 6 C UNK A 1 2.440 1.170 0.018 0.00 0.00 +0.008 A ATOM 7 C UNK A 1 1.331 2.022 -0.004 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C UNK A 1 4.409 0.119 -1.041 0.00 0.00 +0.012 C ATOM 9 C UNK A 1 5.590 0.348 -1.637 0.00 0.00 +0.052 C BRANCH 9 10 ATOM 10 C UNK A 1 6.738 -0.596 -1.609 0.00 0.00 +0.186 C ATOM 11 O UNK A 1 7.517 -0.621 -2.558 0.00 0.00 -0.287 OA BRANCH 10 12 ATOM 12 C UNK A 1 6.950 -1.498 -0.452 0.00 0.00 +0.022 A ATOM 13 C UNK A 1 7.417 -2.794 -0.698 0.00 0.00 +0.012 A ATOM 14 C UNK A 1 7.645 -3.668 0.366 0.00 0.00 +0.001 A ATOM 15 C UNK A 1 7.420 -3.244 1.676 0.00 0.00 +0.000 A ATOM 16 C UNK A 1 6.977 -1.945 1.927 0.00 0.00 +0.001 A ATOM 17 C UNK A 1 6.748 -1.067 0.865 0.00 0.00 +0.012 A ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 S UNK A 1 -1.484 3.163 -2.334 0.00 0.00 -0.154 S BRANCH 18 19 ATOM 19 C UNK A 1 -1.992 1.560 -1.611 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 C UNK A 1 -3.144 1.641 -0.606 0.00 0.00 +0.194 C BRANCH 20 22 ATOM 21 C UNK A 0 -4.929 0.100 0.107 0.00 0.00 +0.401 C ATOM 22 N UNK A 1 -3.648 0.297 -0.311 0.00 0.00 -0.267 N ATOM 23 H UNK A 1 -3.001 -0.404 0.028 0.00 0.00 +0.153 HD ATOM 24 O UNK A 0 -5.809 0.943 0.080 0.00 0.00 -0.226 OA BRANCH 21 25 ATOM 25 O UNK A 0 -5.039 -1.163 0.573 0.00 0.00 -0.445 OA BRANCH 25 27 ATOM 26 C UNK A 0 -6.725 -0.864 2.344 0.00 0.00 +0.055 C ATOM 27 C UNK A 0 -6.300 -1.651 1.100 0.00 0.00 +0.107 C ATOM 28 C UNK A 0 -7.390 -1.653 0.023 0.00 0.00 +0.055 C ATOM 29 C UNK A 0 -6.014 -3.103 1.512 0.00 0.00 +0.055 C ENDBRANCH 25 27 ENDBRANCH 21 25 ENDBRANCH 20 22 BRANCH 20 30 ATOM 30 C UNK A 1 -2.668 2.216 0.722 0.00 0.00 +0.326 C ATOM 31 O UNK A 1 -1.981 1.637 1.552 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O UNK A 1 -3.073 3.483 0.939 0.00 0.00 -0.479 OA ATOM 33 H UNK A 1 -2.773 3.696 1.847 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 20 30 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 12