REMARK Name = BDB049748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.180 -2.581 0.276 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.019 -1.446 -0.517 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.197 -1.209 -1.169 0.00 0.00 +0.007 A ATOM 4 C LIG 1 2.272 -2.101 -1.041 0.00 0.00 -0.043 A ATOM 5 C LIG 1 2.099 -3.241 -0.247 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.884 -3.475 0.403 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.307 -2.940 0.962 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -2.414 -2.037 0.972 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -3.329 -2.285 -0.225 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -6.573 -2.847 0.473 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -5.823 -1.646 0.069 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -4.503 -1.379 -0.224 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -4.364 -0.048 -0.548 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -5.587 0.443 -0.445 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -6.526 -0.483 -0.069 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.056 1.807 -0.671 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -7.404 2.165 -0.515 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -7.825 3.480 -0.738 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.903 4.453 -1.119 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.561 4.114 -1.278 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.142 2.800 -1.055 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 3.582 -1.836 -1.746 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 4.429 -1.055 -0.788 0.00 0.00 -0.011 A ATOM 24 C LIG 1 5.478 -1.520 0.071 0.00 0.00 +0.080 A ATOM 25 C LIG 1 5.943 -0.404 0.752 0.00 0.00 +0.106 A ATOM 26 N LIG 1 5.257 0.725 0.360 0.00 0.00 -0.322 N ATOM 27 C LIG 1 4.349 0.318 -0.595 0.00 0.00 +0.096 A BRANCH 26 28 ATOM 28 C LIG 1 5.453 2.058 0.844 0.00 0.00 +0.046 A ATOM 29 C LIG 1 6.436 2.333 1.807 0.00 0.00 +0.026 A ATOM 30 C LIG 1 6.626 3.637 2.278 0.00 0.00 +0.002 A ATOM 31 C LIG 1 5.839 4.678 1.796 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.860 4.418 0.842 0.00 0.00 +0.002 A ATOM 33 C LIG 1 4.665 3.117 0.367 0.00 0.00 +0.026 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 6.034 -2.848 0.282 0.00 0.00 +0.339 C ATOM 35 O LIG 1 6.918 -3.125 1.082 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 5.522 -3.823 -0.497 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 6.032 -4.609 -0.211 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10