REMARK Name = BDB048563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.376 -0.812 -0.210 0.00 0.00 -0.023 A ATOM 2 C LIG 1 -3.307 -1.675 -0.805 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.672 -1.375 -0.777 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -5.122 -0.216 -0.144 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -4.204 0.642 0.465 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -2.838 0.343 0.436 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 0.043 -0.293 -0.405 0.00 0.00 +0.014 C ATOM 8 C LIG 1 -0.954 -1.177 -0.232 0.00 0.00 +0.007 C BRANCH 7 9 ATOM 9 C LIG 1 1.497 -0.659 -0.429 0.00 0.00 +0.256 C BRANCH 9 10 ATOM 10 O LIG 1 2.152 0.140 0.553 0.00 0.00 -0.488 OA BRANCH 10 14 ATOM 11 C LIG 1 6.270 -0.170 1.194 0.00 0.00 -0.044 A ATOM 12 C LIG 1 5.678 -0.976 0.213 0.00 0.00 +0.007 A ATOM 13 C LIG 1 4.303 -0.905 -0.037 0.00 0.00 +0.046 A ATOM 14 C LIG 1 3.502 -0.028 0.693 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.089 0.774 1.674 0.00 0.00 +0.046 A ATOM 16 C LIG 1 5.461 0.706 1.925 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 7.755 -0.243 1.455 0.00 0.00 +0.078 C BRANCH 17 18 ATOM 18 C LIG 1 8.624 0.396 0.362 0.00 0.00 +0.230 C BRANCH 18 19 ATOM 19 C LIG 1 8.485 1.920 0.441 0.00 0.00 +0.334 C ATOM 20 O LIG 1 9.155 2.689 1.111 0.00 0.00 -0.248 OA BRANCH 19 21 ATOM 21 O LIG 1 7.508 2.399 -0.359 0.00 0.00 -0.479 OA ATOM 22 H LIG 1 7.516 3.365 -0.195 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 BRANCH 18 23 ATOM 23 O LIG 1 9.968 -0.046 0.602 0.00 0.00 -0.365 OA BRANCH 23 25 ATOM 24 C LIG 1 10.818 -0.815 -1.537 0.00 0.00 +0.034 C ATOM 25 C LIG 1 10.880 0.248 -0.454 0.00 0.00 +0.157 C ENDBRANCH 23 25 ENDBRANCH 18 23 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 8 BRANCH 3 26 ATOM 26 C LIG 1 -5.610 -2.260 -1.397 0.00 0.00 -0.061 C ATOM 27 C LIG 1 -6.397 -3.003 -1.917 0.00 0.00 -0.061 C BRANCH 27 28 ATOM 28 C LIG 1 -7.334 -3.888 -2.538 0.00 0.00 +0.025 A ATOM 29 C LIG 1 -8.124 -3.439 -3.599 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -9.038 -4.304 -4.204 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -9.162 -5.617 -3.750 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.375 -6.067 -2.691 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.460 -5.203 -2.084 0.00 0.00 +0.017 A ENDBRANCH 27 28 ENDBRANCH 3 26 BRANCH 5 34 ATOM 34 C LIG 1 -4.662 1.824 1.127 0.00 0.00 -0.061 C ATOM 35 C LIG 1 -5.048 2.815 1.686 0.00 0.00 -0.061 C BRANCH 35 36 ATOM 36 C LIG 1 -5.507 3.993 2.355 0.00 0.00 +0.025 A ATOM 37 C LIG 1 -4.943 4.369 3.576 0.00 0.00 +0.017 A ATOM 38 C LIG 1 -5.392 5.518 4.230 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.405 6.292 3.663 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.970 5.918 2.443 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.521 4.769 1.788 0.00 0.00 +0.017 A ENDBRANCH 35 36 ENDBRANCH 5 34 TORSDOF 14