REMARK  Name = BDB052388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.016  -1.311  -0.635  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.003  -0.460  -0.419  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.226  -0.915  -0.702  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.349  -0.027  -0.477  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        2.387   1.313  -0.233  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.275   2.230  -0.143  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        3.648   1.789  -0.083  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.442   0.707  -0.248  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        3.665  -0.446  -0.508  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.027  -1.873  -0.741  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.914  -2.613  -1.528  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        1.508  -2.187  -1.176  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        0.402  -2.968  -1.387  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.854  -2.553  -1.129  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        5.906   0.804  -0.146  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.671  -0.147  -0.269  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.364   2.067   0.107  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.350   2.230   0.231  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        5.683   2.807   0.233  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -2.335  -0.931  -0.412  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -2.950  -1.717  -0.592  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -4.314   0.264   0.324  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -2.920   0.008   0.465  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -2.184   0.723   1.417  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -2.814   1.623   2.277  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.188   1.817   2.193  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.934   1.133   1.231  0.00  0.00    +0.025 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.366  -0.035  -1.018  0.00  0.00    +0.125 C 
ATOM     29  N   LIG    1       -5.024  -0.462  -0.662  0.00  0.00    -0.345 N 
ATOM     30  H   LIG    1       -4.424  -0.545  -1.484  0.00  0.00    +0.146 HD
ENDBRANCH  22  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4