REMARK Name = BDB010855 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.575 0.548 0.853 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.563 1.505 0.767 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.461 2.485 1.746 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.518 3.387 1.459 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 1.043 2.986 0.322 0.00 0.00 +0.145 A ATOM 6 N LIG 1 -1.253 2.565 2.825 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.173 1.603 2.848 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.472 1.801 -0.099 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.375 0.622 1.937 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.110 1.588 3.993 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.079 0.659 4.027 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.259 -0.051 3.338 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.779 0.865 5.149 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.743 0.215 5.521 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.229 1.932 5.814 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.127 2.382 5.015 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.109 3.850 -0.469 0.00 0.00 +0.123 C ATOM 18 C LIG 1 2.656 5.067 0.347 0.00 0.00 +0.043 C ATOM 19 C LIG 1 4.053 4.726 -0.201 0.00 0.00 +0.006 C ATOM 20 C LIG 1 3.555 3.281 -0.388 0.00 0.00 +0.043 C BRANCH 17 21 ATOM 21 O LIG 1 1.659 4.188 -1.804 0.00 0.00 -0.381 OA ATOM 22 H LIG 1 0.923 4.806 -1.649 0.00 0.00 +0.211 HD ENDBRANCH 17 21 ENDBRANCH 5 17 BRANCH 1 23 ATOM 23 N LIG 1 -1.825 -0.414 -0.109 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.106 -0.567 -0.796 0.00 0.00 +0.148 HD BRANCH 23 26 ATOM 25 C LIG 1 -1.698 -2.599 0.988 0.00 0.00 +0.028 C ATOM 26 C LIG 1 -2.594 -1.606 0.244 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 -3.108 -2.259 -1.043 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.186 -1.466 -1.835 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -4.830 -2.825 -2.177 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.181 -3.375 -0.891 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 8 31 ATOM 31 C LIG 1 0.861 1.048 -1.279 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 1.505 -0.320 -0.970 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.921 -0.183 -0.394 0.00 0.00 +0.005 C ATOM 34 C LIG 1 3.564 -1.546 -0.140 0.00 0.00 +0.003 C ATOM 35 C LIG 1 3.581 -2.410 -1.406 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.179 -3.784 -1.114 0.00 0.00 +0.007 C ATOM 37 C LIG 1 2.169 -2.547 -1.989 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.528 -1.184 -2.241 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 8