REMARK  Name = BDB057590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.695   0.336  -0.485  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1        0.984   0.117   0.473  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        2.976   1.100  -1.196  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.631   0.818  -1.334  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        1.307   1.128  -2.622  0.00  0.00    -0.262 N 
ATOM      6  H   LIG    1        0.391   1.034  -3.043  0.00  0.00    +0.190 HD
ATOM      7  N   LIG    1        2.337   1.595  -3.349  0.00  0.00    -0.177 NA
ATOM      8  C   LIG    1        3.362   1.581  -2.483  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1        4.706   2.038  -2.921  0.00  0.00    +0.068 C 
BRANCH   3  10
ATOM     10  C   LIG    1        3.805   0.946  -0.019  0.00  0.00    +0.344 C 
ATOM     11  O   LIG    1        4.998   1.225   0.008  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1        3.116   0.455   1.058  0.00  0.00    -0.461 OA
BRANCH  12  14
ATOM     13  C   LIG    1        3.015  -0.255   3.334  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.910   0.291   2.239  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  N   LIG    1       -0.595   0.140  -0.867  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1       -1.374  -0.327   0.060  0.00  0.00    +0.139 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.803  -0.598  -0.183  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.610  -1.107   0.860  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.960  -1.351   0.590  0.00  0.00    +0.047 A 
ATOM     20  N   LIG    1       -5.530  -1.837   1.746  0.00  0.00    -0.361 N 
ATOM     21  H   LIG    1       -6.502  -2.099   1.839  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -4.592  -1.910   2.740  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -5.539  -1.113  -0.662  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.720  -0.610  -1.676  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.397  -1.467   2.225  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.370  -0.354  -1.445  0.00  0.00    +0.010 A 
ENDBRANCH  16  17
ENDBRANCH   1  15
TORSDOF 6