REMARK Name = BDB024262 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.532 -1.750 -1.004 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.332 -3.159 -0.458 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.729 -4.261 -1.234 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.556 -5.564 -0.764 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.993 -5.784 0.491 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.613 -4.703 1.282 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.786 -3.398 0.815 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.850 -1.185 -0.847 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.944 -2.126 -1.205 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.434 -0.721 -0.592 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.727 0.388 -0.148 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.421 0.829 -0.148 0.00 0.00 +0.085 A ATOM 13 C LIG 1 3.186 1.397 0.115 0.00 0.00 +0.140 A ATOM 14 N LIG 1 2.008 0.763 -0.101 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.035 -0.484 -0.601 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.232 -1.131 -0.892 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.440 -0.468 -0.663 0.00 0.00 +0.033 A BRANCH 12 22 ATOM 18 C LIG 1 7.964 4.139 1.057 0.00 0.00 +0.069 C ATOM 19 C LIG 1 7.169 2.976 0.622 0.00 0.00 +0.080 A ATOM 20 N LIG 1 7.775 1.844 0.161 0.00 0.00 -0.134 NA ATOM 21 N LIG 1 6.831 0.970 -0.158 0.00 0.00 -0.061 NA ATOM 22 N LIG 1 5.622 1.528 0.095 0.00 0.00 -0.218 N ATOM 23 C LIG 1 5.804 2.800 0.590 0.00 0.00 +0.139 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.903 -1.220 -0.794 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.886 -0.249 -1.123 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.327 -1.193 0.613 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.659 -0.439 0.794 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.663 1.018 0.381 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -3.643 1.896 0.773 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -3.672 3.240 0.389 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.730 3.728 -0.380 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.761 2.866 -0.762 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.728 1.521 -0.381 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -4.760 5.106 -0.773 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -4.790 6.222 -1.091 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9