REMARK Name = BDB054998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.014 -0.477 0.462 0.00 0.00 +0.127 C ATOM 2 C LIG 1 0.911 0.913 -0.164 0.00 0.00 +0.068 C ATOM 3 C LIG 1 0.024 1.814 0.695 0.00 0.00 +0.151 C ATOM 4 O LIG 1 -1.268 1.217 0.871 0.00 0.00 -0.369 OA ATOM 5 C LIG 1 -1.210 -0.051 1.530 0.00 0.00 +0.122 C ATOM 6 C LIG 1 -0.390 -1.035 0.698 0.00 0.00 +0.063 C ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.135 3.181 0.056 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.191 3.459 -0.829 0.00 0.00 +0.055 A ATOM 9 C LIG 1 -1.291 4.717 -1.413 0.00 0.00 +0.159 A ATOM 10 C LIG 1 -0.347 5.701 -1.135 0.00 0.00 +0.158 A ATOM 11 C LIG 1 0.707 5.447 -0.272 0.00 0.00 +0.049 A ATOM 12 C LIG 1 0.814 4.188 0.323 0.00 0.00 +0.010 A BRANCH 9 13 ATOM 13 O LIG 1 -2.307 5.035 -2.273 0.00 0.00 -0.503 OA ATOM 14 H LIG 1 -2.897 4.264 -2.333 0.00 0.00 +0.292 HD ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -0.453 6.931 -1.717 0.00 0.00 -0.503 OA ATOM 16 H LIG 1 -1.259 6.870 -2.267 0.00 0.00 +0.292 HD ENDBRANCH 10 15 ENDBRANCH 3 7 BRANCH 1 17 ATOM 17 O LIG 1 1.692 -1.365 -0.431 0.00 0.00 -0.345 OA BRANCH 17 22 ATOM 18 C LIG 1 5.217 -0.451 -0.256 0.00 0.00 +0.178 C ATOM 19 C LIG 1 5.789 -1.853 0.038 0.00 0.00 +0.177 C ATOM 20 C LIG 1 5.061 -2.964 -0.735 0.00 0.00 +0.179 C ATOM 21 C LIG 1 3.627 -2.575 -1.101 0.00 0.00 +0.201 C ATOM 22 C LIG 1 3.071 -1.576 -0.078 0.00 0.00 +0.282 C ATOM 23 O LIG 1 3.788 -0.345 -0.116 0.00 0.00 -0.341 OA BRANCH 19 24 ATOM 24 O LIG 1 5.615 -2.117 1.446 0.00 0.00 -0.386 OA ATOM 25 H LIG 1 6.252 -1.549 1.918 0.00 0.00 +0.210 HD ENDBRANCH 19 24 BRANCH 20 26 ATOM 26 O LIG 1 5.769 -3.289 -1.940 0.00 0.00 -0.386 OA ATOM 27 H LIG 1 5.290 -4.047 -2.329 0.00 0.00 +0.210 HD ENDBRANCH 20 26 BRANCH 21 28 ATOM 28 O LIG 1 2.817 -3.758 -1.197 0.00 0.00 -0.384 OA ATOM 29 H LIG 1 1.897 -3.428 -1.234 0.00 0.00 +0.210 HD ENDBRANCH 21 28 BRANCH 18 30 ATOM 30 C LIG 1 5.629 0.082 -1.635 0.00 0.00 +0.190 C BRANCH 30 31 ATOM 31 O LIG 1 7.042 0.227 -1.707 0.00 0.00 -0.392 OA ATOM 32 H LIG 1 7.253 0.491 -2.620 0.00 0.00 +0.210 HD ENDBRANCH 30 31 ENDBRANCH 18 30 ENDBRANCH 17 22 ENDBRANCH 1 17 BRANCH 5 33 ATOM 33 C LIG 1 -2.643 -0.535 1.790 0.00 0.00 +0.036 C BRANCH 33 34 ATOM 34 C LIG 1 -3.516 -0.623 0.533 0.00 0.00 +0.038 C BRANCH 34 35 ATOM 35 C LIG 1 -4.927 -1.045 0.870 0.00 0.00 -0.044 A ATOM 36 C LIG 1 -5.296 -2.399 0.828 0.00 0.00 +0.052 A ATOM 37 C LIG 1 -6.597 -2.765 1.158 0.00 0.00 +0.158 A ATOM 38 C LIG 1 -7.528 -1.801 1.532 0.00 0.00 +0.158 A ATOM 39 C LIG 1 -7.179 -0.461 1.585 0.00 0.00 +0.049 A ATOM 40 C LIG 1 -5.877 -0.082 1.255 0.00 0.00 +0.007 A BRANCH 37 41 ATOM 41 O LIG 1 -7.010 -4.069 1.130 0.00 0.00 -0.503 OA ATOM 42 H LIG 1 -6.259 -4.617 0.843 0.00 0.00 +0.292 HD ENDBRANCH 37 41 BRANCH 38 43 ATOM 43 O LIG 1 -8.802 -2.172 1.855 0.00 0.00 -0.503 OA ATOM 44 H LIG 1 -8.806 -3.144 1.746 0.00 0.00 +0.292 HD ENDBRANCH 38 43 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 15