REMARK  Name = BDB059095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.406  -0.067  -0.530  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -0.519   1.121  -0.633  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.104   1.488   0.734  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.806   0.325   1.339  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.120  -0.827   1.474  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -0.711  -1.221   0.098  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.121   0.104   0.975  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.818  -0.805   1.724  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        2.390  -1.209   2.539  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        4.132  -1.109   1.517  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1        4.742  -1.906   2.220  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.757  -0.419   0.382  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1        6.188  -0.708   0.069  0.00  0.00    +0.202 C 
ATOM     14  O   LIG    1        6.742   0.236  -0.863  0.00  0.00    -0.375 OA
ATOM     15  C   LIG    1        5.865   0.475  -1.966  0.00  0.00    +0.166 C 
ATOM     16  C   LIG    1        4.592   1.169  -1.484  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1        3.998   0.450  -0.300  0.00  0.00    +0.058 A 
ATOM     18  N   LIG    1        2.686   0.732  -0.012  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  C   LIG    1       -5.560   0.288   0.294  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -5.017  -0.910  -0.152  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.643  -1.003  -0.419  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.764   0.080  -0.241  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -3.344   1.282   0.181  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -4.716   1.383   0.454  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.772  -0.566   0.421  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.872   0.522   0.593  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 3