REMARK  Name = BDB057343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.596   0.260   1.806  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -1.893   0.826   0.706  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.789   0.892  -0.366  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.411   1.415  -1.615  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.098   1.866  -1.774  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.185   1.789  -0.727  0.00  0.00    +0.129 A 
ATOM      7  N   LIG    1       -3.999   0.380   0.083  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1       -0.572   1.294   0.525  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -3.887  -0.018   1.401  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   9  10
ATOM     10  N   LIG    1       -4.920  -0.563   2.082  0.00  0.00    -0.343 N 
ATOM     11  H   LIG    1       -4.776  -0.968   3.007  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.752  -0.930   1.627  0.00  0.00    +0.144 HD
ENDBRANCH   9  10
BRANCH   1  14
ATOM     13  N   LIG    1       -1.634  -0.216   4.163  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -2.064   0.005   3.108  0.00  0.00    +0.103 C 
ENDBRANCH   1  14
BRANCH   6  15
ATOM     15  O   LIG    1        1.077   2.288  -0.966  0.00  0.00    -0.456 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.147   1.538  -0.537  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        2.255   0.168  -0.770  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        3.388  -0.524  -0.330  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        4.429   0.148   0.327  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.319   1.525   0.531  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.185   2.219   0.095  0.00  0.00    +0.048 A 
BRANCH  19  22
ATOM     22  N   LIG    1        5.531  -0.626   0.740  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        5.482  -1.613   0.539  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        6.676  -0.201   1.390  0.00  0.00    +0.231 C 
ATOM     25  O   LIG    1        6.932   0.956   1.716  0.00  0.00    -0.274 OA
BRANCH  24  26
ATOM     26  C   LIG    1        7.682  -1.322   1.704  0.00  0.00    +0.175 C 
BRANCH  26  27
ATOM     27  N   LIG    1        7.263  -2.662   1.263  0.00  0.00    -0.322 NA
ATOM     28  H   LIG    1        6.412  -2.956   1.736  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        7.160  -2.702   0.253  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   6  15
BRANCH   7  30
ATOM     30  C   LIG    1       -5.216   0.315  -0.723  0.00  0.00    +0.127 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.378  -1.023  -1.384  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -4.899  -1.264  -2.793  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -6.372  -1.192  -2.505  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH   7  30
TORSDOF 9