REMARK Name = BDB024129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.725 -1.549 -1.286 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.512 -3.050 -1.131 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.072 -3.925 -2.078 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.896 -5.305 -1.967 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.167 -5.832 -0.904 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.621 -4.981 0.054 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.796 -3.600 -0.054 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.320 -1.032 -1.327 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -0.319 -1.866 -1.904 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.545 -0.657 -0.785 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -1.728 0.300 -0.035 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 3.554 0.667 -0.815 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.430 1.266 -0.231 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.141 0.727 -0.377 0.00 0.00 +0.025 A ATOM 15 C LIG 1 0.936 -0.427 -1.126 0.00 0.00 +0.034 A ATOM 16 C LIG 1 2.040 -1.029 -1.732 0.00 0.00 +0.025 A ATOM 17 C LIG 1 3.323 -0.487 -1.579 0.00 0.00 +0.025 A BRANCH 12 22 ATOM 18 C LIG 1 7.480 2.204 1.699 0.00 0.00 +0.105 C ATOM 19 N LIG 1 7.504 2.146 0.239 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 6.484 3.034 -0.362 0.00 0.00 +0.103 C ATOM 21 C LIG 1 5.018 2.561 -0.208 0.00 0.00 +0.120 C ATOM 22 N LIG 1 4.855 1.179 -0.703 0.00 0.00 -0.327 N ATOM 23 C LIG 1 5.833 0.232 -0.117 0.00 0.00 +0.120 C ATOM 24 C LIG 1 7.279 0.770 -0.256 0.00 0.00 +0.103 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -4.035 -1.079 -0.767 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -4.022 -0.057 -0.843 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.272 -1.408 0.646 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.538 -0.715 1.186 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.507 0.798 1.162 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -6.535 1.511 0.529 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.522 2.908 0.503 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.480 3.611 1.114 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.455 2.909 1.754 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.472 1.512 1.782 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.464 5.044 1.086 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.454 6.205 1.064 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9