REMARK Name = BDB059110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.453 -0.127 1.511 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.047 -0.169 1.188 0.00 0.00 +0.032 A ATOM 3 C LIG 1 0.156 -0.546 2.221 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.228 -0.607 1.986 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.817 -0.306 0.740 0.00 0.00 -0.022 A ATOM 6 C LIG 1 -3.337 -0.398 0.569 0.00 0.00 +0.017 C ATOM 7 C LIG 1 -3.997 0.568 1.589 0.00 0.00 +0.021 C ATOM 8 C LIG 1 -3.770 -1.857 0.873 0.00 0.00 +0.021 C ATOM 9 C LIG 1 -3.847 -0.032 -0.833 0.00 0.00 -0.020 A ATOM 10 C LIG 1 -2.980 0.344 -1.875 0.00 0.00 +0.068 A ATOM 11 C LIG 1 -3.513 0.675 -3.141 0.00 0.00 +0.131 A ATOM 12 C LIG 1 -4.886 0.633 -3.380 0.00 0.00 +0.091 A ATOM 13 C LIG 1 -5.738 0.260 -2.359 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -1.515 0.382 -1.633 0.00 0.00 +0.201 C ATOM 15 O LIG 1 -0.718 0.673 -2.522 0.00 0.00 -0.286 OA ATOM 16 C LIG 1 -5.238 -0.069 -1.104 0.00 0.00 +0.050 A ATOM 17 C LIG 1 -0.960 0.062 -0.296 0.00 0.00 +0.068 A ATOM 18 C LIG 1 0.632 -0.871 3.500 0.00 0.00 +0.054 A ATOM 19 C LIG 1 1.986 -0.836 3.783 0.00 0.00 +0.118 A ATOM 20 C LIG 1 0.443 0.128 -0.074 0.00 0.00 +0.136 A ATOM 21 C LIG 1 2.894 -0.469 2.807 0.00 0.00 +0.054 A ENDROOT BRANCH 1 23 ATOM 22 C LIG 1 4.227 -0.730 -0.159 0.00 0.00 +0.131 A ATOM 23 C LIG 1 3.508 0.261 0.546 0.00 0.00 +0.028 A ATOM 24 C LIG 1 3.851 1.620 0.332 0.00 0.00 -0.036 A ATOM 25 C LIG 1 3.122 2.733 1.037 0.00 0.00 +0.044 C ATOM 26 C LIG 1 4.874 1.946 -0.578 0.00 0.00 +0.049 A ATOM 27 C LIG 1 5.568 0.941 -1.244 0.00 0.00 +0.121 A ATOM 28 C LIG 1 5.262 -0.395 -1.034 0.00 0.00 +0.091 A BRANCH 22 30 ATOM 29 C LIG 1 3.312 -2.645 -1.052 0.00 0.00 +0.277 C ATOM 30 O LIG 1 3.956 -2.058 0.078 0.00 0.00 -0.494 OA ENDBRANCH 22 30 BRANCH 27 31 ATOM 31 O LIG 1 6.574 1.233 -2.118 0.00 0.00 -0.507 OA ATOM 32 H LIG 1 6.637 2.199 -2.202 0.00 0.00 +0.292 HD ENDBRANCH 27 31 ENDBRANCH 1 23 BRANCH 13 33 ATOM 33 O LIG 1 -7.074 0.227 -2.627 0.00 0.00 -0.507 OA ATOM 34 H LIG 1 -7.555 -0.050 -1.830 0.00 0.00 +0.292 HD ENDBRANCH 13 33 BRANCH 11 35 ATOM 35 O LIG 1 -2.701 1.053 -4.175 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 -3.226 1.228 -4.971 0.00 0.00 +0.292 HD ENDBRANCH 11 35 BRANCH 19 37 ATOM 37 O LIG 1 2.386 -1.173 5.041 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 3.358 -1.163 5.066 0.00 0.00 +0.292 HD ENDBRANCH 19 37 BRANCH 20 39 ATOM 39 O LIG 1 1.285 0.491 -1.105 0.00 0.00 -0.505 OA ATOM 40 H LIG 1 0.747 0.656 -1.912 0.00 0.00 +0.292 HD ENDBRANCH 20 39 TORSDOF 7