REMARK Name = BDB024427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.088 0.671 -0.056 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.162 -0.841 -0.237 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.752 -1.680 0.722 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.830 -3.058 0.513 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.325 -3.617 -0.659 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.256 -2.799 -1.625 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.333 -1.421 -1.418 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.111 1.129 1.420 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.332 1.088 2.033 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.275 1.408 2.989 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.818 1.540 2.131 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.576 0.664 1.569 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.741 0.237 0.310 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.980 -0.177 -0.065 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.098 -0.174 0.761 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.903 0.282 2.063 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.635 0.705 2.471 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.400 -0.627 0.310 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.832 -0.645 -1.002 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.111 -1.126 -0.980 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.984 -1.326 -2.111 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.549 -1.423 0.255 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.510 -1.119 1.037 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.225 1.387 -0.715 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.126 1.239 -1.718 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.562 0.930 -0.312 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -3.664 1.911 -0.784 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -3.713 2.061 -2.310 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -8.790 0.218 1.279 0.00 0.00 +0.065 C ATOM 30 C LIG 1 -7.463 0.681 0.758 0.00 0.00 +0.038 A ATOM 31 N LIG 1 -6.869 -0.079 -0.191 0.00 0.00 -0.260 NA ATOM 32 C LIG 1 -5.670 0.338 -0.659 0.00 0.00 +0.115 A ATOM 33 C LIG 1 -5.016 1.491 -0.235 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -5.652 2.251 0.749 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -6.887 1.846 1.251 0.00 0.00 +0.023 A ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8