REMARK  Name = BDB056778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.126  -0.546   0.569  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.020  -1.048  -0.126  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        1.052  -0.170  -0.333  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.052   1.136   0.146  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        2.213   1.783  -0.187  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.936   0.905  -0.860  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.055   1.611   0.868  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        2.264  -0.294  -0.973  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        2.749  -1.479  -1.640  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.142   0.755   1.081  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.175  -1.416   0.777  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -6.922  -1.469   1.782  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -5.809  -1.018   0.875  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -6.052  -0.213  -0.260  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -4.983   0.086  -1.133  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.194   0.841  -2.418  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -3.675  -0.295  -0.788  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.429  -0.998   0.390  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -4.492  -1.379   1.202  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -7.373   0.105  -0.630  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -7.444   0.921  -1.228  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -8.012   0.164   0.155  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        4.288   1.171  -1.439  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        5.199   0.145  -1.033  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.908   0.339   0.120  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        5.607   1.261   1.125  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        6.412   1.342   2.265  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.518   0.505   2.407  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.815  -0.424   1.414  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.008  -0.508   0.277  0.00  0.00    +0.045 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6