REMARK Name = BDB049834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.061 0.735 -1.017 0.00 0.00 +0.095 C ATOM 2 C LIG 1 0.304 0.694 -0.314 0.00 0.00 +0.130 C ATOM 3 N LIG 1 1.000 1.892 -0.773 0.00 0.00 -0.293 N ATOM 4 C LIG 1 2.381 2.062 -0.839 0.00 0.00 +0.282 C ATOM 5 O LIG 1 2.871 2.929 -1.562 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 0.132 2.704 -1.608 0.00 0.00 +0.110 C ATOM 7 C LIG 1 -1.270 2.230 -1.267 0.00 0.00 +0.043 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.189 1.193 -0.001 0.00 0.00 +0.195 A ATOM 9 N LIG 1 2.995 0.980 1.343 0.00 0.00 -0.334 N ATOM 10 H LIG 1 2.277 1.418 1.901 0.00 0.00 +0.168 HD ATOM 11 C LIG 1 3.954 0.112 1.795 0.00 0.00 +0.067 A ATOM 12 C LIG 1 4.739 -0.156 0.676 0.00 0.00 +0.102 A ATOM 13 C LIG 1 5.841 -1.024 0.806 0.00 0.00 +0.064 A ATOM 14 C LIG 1 6.100 -1.590 2.068 0.00 0.00 +0.015 A ATOM 15 C LIG 1 5.292 -1.298 3.170 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.198 -0.435 3.057 0.00 0.00 +0.028 A ATOM 17 N LIG 1 4.253 0.532 -0.421 0.00 0.00 -0.223 NA BRANCH 13 18 ATOM 18 C LIG 1 6.726 -1.354 -0.335 0.00 0.00 +0.244 C ATOM 19 O LIG 1 7.669 -2.128 -0.209 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 6.457 -0.762 -1.534 0.00 0.00 -0.325 N ATOM 21 H LIG 1 7.064 -0.942 -2.319 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 5.697 -0.092 -1.635 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 8 BRANCH 1 24 ATOM 23 C LIG 1 -3.308 -0.229 -0.828 0.00 0.00 +0.401 C ATOM 24 N LIG 1 -2.131 0.143 -0.248 0.00 0.00 -0.277 N ATOM 25 H LIG 1 -2.184 0.263 0.754 0.00 0.00 +0.152 HD ATOM 26 O LIG 1 -3.522 -0.240 -2.028 0.00 0.00 -0.226 OA BRANCH 23 27 ATOM 27 O LIG 1 -4.183 -0.555 0.150 0.00 0.00 -0.445 OA BRANCH 27 29 ATOM 28 C LIG 1 -5.514 -2.288 -0.989 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -5.529 -0.988 -0.178 0.00 0.00 +0.107 C ATOM 30 C LIG 1 -6.314 0.121 -0.886 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -6.190 -1.265 1.181 0.00 0.00 +0.055 C ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 1 24 TORSDOF 5