REMARK  Name = BDB012327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.772  -0.334   0.969  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.434  -0.943   0.609  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -1.147  -1.088   1.783  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.321  -0.575   2.789  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        0.841  -0.128   2.321  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.030   1.038  -0.149  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.981   0.649   0.686  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        1.854   0.065   0.113  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        1.751  -0.132  -1.230  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.782   0.254  -2.010  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        3.933   0.838  -1.524  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.394   1.863   1.653  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.226   1.657   0.467  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.162   1.991  -0.440  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.880   2.383   0.102  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.705  -1.253  -0.666  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.964  -1.862  -0.953  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.094  -0.863  -1.037  0.00  0.00    -0.007 A 
ATOM     19  C   LIG    1       -2.892   0.420  -1.555  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -3.972   1.285  -1.634  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1       -5.224   0.960  -1.250  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1       -5.404  -0.288  -0.767  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.388  -1.223  -0.647  0.00  0.00    +0.026 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6