REMARK  Name = BDB060313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.683  -0.038  -0.140  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.834   0.064   1.213  0.00  0.00    -0.246 N 
ATOM      3  H   LIG    1       -0.103   0.139   1.914  0.00  0.00    +0.192 HD
ATOM      4  N   LIG    1       -2.130   0.058   1.567  0.00  0.00    -0.149 NA
ATOM      5  C   LIG    1       -2.745  -0.052   0.370  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1       -1.863  -0.113  -0.698  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.205  -0.104   0.197  0.00  0.00    +0.110 A 
ATOM      8  N   LIG    1       -4.675  -0.216  -1.075  0.00  0.00    -0.252 NA
ATOM      9  C   LIG    1       -6.014  -0.265  -1.241  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -6.924  -0.206  -0.199  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -6.433  -0.091   1.095  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.056  -0.039   1.300  0.00  0.00    +0.031 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     13  O   LIG    1        1.842   0.122   1.058  0.00  0.00    -0.226 OA
ATOM     14  C   LIG    1        1.712   0.022  -0.158  0.00  0.00    +0.412 C 
ATOM     15  N   LIG    1        0.511  -0.060  -0.806  0.00  0.00    -0.220 N 
ATOM     16  H   LIG    1        0.484  -0.140  -1.812  0.00  0.00    +0.161 HD
BRANCH  14  17
ATOM     17  O   LIG    1        2.738  -0.024  -1.089  0.00  0.00    -0.411 OA
BRANCH  17  18
ATOM     18  C   LIG    1        4.009   0.054  -0.517  0.00  0.00    +0.133 A 
ATOM     19  C   LIG    1        4.676  -1.121  -0.179  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        5.964  -1.042   0.350  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.574   0.203   0.520  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.901   1.373   0.159  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.613   1.301  -0.370  0.00  0.00    +0.046 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 4