REMARK Name = BDB006441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.238 -4.200 3.133 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.232 -2.729 2.894 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.080 -1.894 2.762 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.524 -0.588 2.546 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.625 0.481 2.376 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.747 0.213 2.424 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.216 -1.086 2.626 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.909 -0.625 2.545 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.309 -2.140 2.810 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.349 -1.917 2.761 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.794 -2.286 2.811 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.672 -1.397 2.679 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.494 -0.576 1.938 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.076 0.022 1.238 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.077 -2.356 3.325 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.921 -0.836 1.815 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.673 -0.479 3.102 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.467 -0.091 0.609 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.579 1.307 0.593 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -6.063 1.974 -0.536 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.439 1.262 -1.683 0.00 0.00 -0.045 A ATOM 22 C LIG 1 -6.316 -0.134 -1.671 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.834 -0.801 -0.542 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -6.962 2.007 -2.898 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -8.403 1.607 -3.227 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -6.051 1.813 -4.112 0.00 0.00 +0.012 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 3.772 0.548 2.397 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.423 0.641 1.036 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.681 0.523 -0.146 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.302 0.640 -1.394 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.678 0.891 -1.500 0.00 0.00 -0.018 A ATOM 32 C LIG 1 6.413 1.024 -0.313 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.795 0.906 0.937 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 6.329 1.011 -2.815 0.00 0.00 -0.018 A ATOM 35 C LIG 1 6.194 0.003 -3.784 0.00 0.00 +0.008 A ATOM 36 C LIG 1 6.813 0.114 -5.033 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.577 1.238 -5.334 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.724 2.250 -4.388 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.105 2.136 -3.140 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 7