REMARK  Name = BDB014074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.216   1.395  -0.894  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        1.213   0.997  -1.903  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.039   0.288  -1.346  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.726   1.126  -0.347  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.137   2.053   0.397  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        1.598   1.554   0.440  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.055   0.891  -0.062  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -2.719   1.809   0.697  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1       -2.268   2.655   0.994  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -4.034   1.697   1.016  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1       -4.615   2.551   1.679  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -4.707   0.488   0.517  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -6.158   0.314   0.853  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -6.826  -0.757  -0.005  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -5.918  -1.970  -0.146  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1       -4.624  -1.550  -0.690  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -3.831  -2.611  -1.306  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1       -3.989  -0.386  -0.218  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1       -2.663  -0.164  -0.510  0.00  0.00    -0.200 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        3.345   0.435  -0.850  0.00  0.00    +0.143 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.461  -0.172   0.408  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1        4.541   0.819   0.025  0.00  0.00    +0.097 A 
ATOM     23  N   LIG    1        4.708   2.134   0.351  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        5.785   2.468   1.088  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        6.727   1.556   1.522  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        6.562   0.217   1.174  0.00  0.00    +0.049 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.144  -2.457   0.366  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.209  -1.452  -0.007  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4