REMARK Name = BDB014326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.655 -1.320 0.631 0.00 0.00 -0.331 N ATOM 2 C LIG 1 0.521 -1.251 1.370 0.00 0.00 +0.109 A ATOM 3 C LIG 1 0.345 -2.093 2.464 0.00 0.00 +0.095 A ATOM 4 N LIG 1 1.295 -2.327 3.392 0.00 0.00 -0.220 NA ATOM 5 C LIG 1 2.444 -1.670 3.126 0.00 0.00 +0.241 A ATOM 6 N LIG 1 2.704 -0.837 2.104 0.00 0.00 -0.205 NA ATOM 7 C LIG 1 -0.955 -2.631 2.409 0.00 0.00 +0.056 A ATOM 8 C LIG 1 1.738 -0.577 1.203 0.00 0.00 +0.147 A ATOM 9 C LIG 1 -1.572 -2.147 1.270 0.00 0.00 +0.052 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -2.902 -2.474 0.763 0.00 0.00 -0.001 A ATOM 11 C LIG 1 -3.154 -3.748 0.239 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -4.423 -4.083 -0.252 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -4.674 -5.438 -0.846 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -5.438 -3.119 -0.232 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -5.196 -1.852 0.298 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.934 -1.531 0.799 0.00 0.00 +0.010 A ENDBRANCH 9 10 BRANCH 5 17 ATOM 17 C LIG 1 3.546 -1.912 4.125 0.00 0.00 +0.375 C ATOM 18 O LIG 1 4.662 -1.424 4.101 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 3.133 -2.774 5.100 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 2.201 -3.043 4.928 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 8 21 ATOM 21 N LIG 1 1.974 0.319 0.168 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.164 0.898 -0.021 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.216 1.098 0.193 0.00 0.00 +0.072 C ATOM 24 C LIG 1 3.088 2.271 1.169 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 3.464 1.649 -1.216 0.00 0.00 +0.009 C ATOM 26 C LIG 1 4.866 2.255 -1.505 0.00 0.00 +0.005 C ATOM 27 C LIG 1 4.756 1.649 -2.919 0.00 0.00 +0.001 C ATOM 28 C LIG 1 3.796 0.603 -2.317 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 1 29 ATOM 29 C LIG 1 -0.853 -0.737 -0.699 0.00 0.00 +0.157 C BRANCH 29 33 ATOM 30 C LIG 1 -1.669 3.522 -0.865 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -1.243 2.823 -1.991 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -0.993 1.448 -1.912 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -1.156 0.746 -0.706 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.599 1.458 0.416 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -1.847 2.831 0.335 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 -1.774 5.609 -1.997 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -1.945 4.859 -0.801 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 29 33 ENDBRANCH 1 29 TORSDOF 9