REMARK  Name = BDB054316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.425   0.740  -1.788  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1        0.654   1.751  -1.232  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1        0.984   2.908  -1.039  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1       -0.667   1.146  -0.904  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.756   1.782  -0.359  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -2.767   1.001  -0.188  0.00  0.00    +0.159 A 
ATOM      7  N   LIG    1       -2.764  -0.348  -0.511  0.00  0.00    -0.200 N 
ATOM      8  C   LIG    1       -1.690  -1.041  -1.024  0.00  0.00    +0.278 A 
ATOM      9  O   LIG    1       -1.633  -2.239  -1.267  0.00  0.00    -0.265 OA
ATOM     10  N   LIG    1       -4.009  -0.899  -0.238  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -3.970  -1.749   0.326  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1       -4.747   0.122   0.358  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1       -4.093   1.298   0.380  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1       -0.552  -0.145  -1.235  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1        0.756  -0.538  -1.782  0.00  0.00    +0.151 C 
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1       -6.045  -0.008   0.926  0.00  0.00    +0.152 A 
ATOM     17  O   LIG    1       -6.671   0.990   1.645  0.00  0.00    -0.461 OA
ATOM     18  C   LIG    1       -7.885   0.539   2.042  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1       -8.086  -0.743   1.603  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -6.914  -1.094   0.891  0.00  0.00    +0.051 A 
ENDBRANCH  12  16
BRANCH   1  21
ATOM     21  C   LIG    1        2.821   0.891  -2.143  0.00  0.00    +0.143 C 
BRANCH  21  25
ATOM     22  C   LIG    1        5.415  -0.661   0.951  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.243  -1.361  -0.245  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.412  -0.863  -1.252  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.738   0.350  -1.075  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.911   1.049   0.129  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.745   0.547   1.135  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.478  -0.576   3.074  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.254  -1.262   1.849  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4