REMARK  Name = BDB031065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.337  -0.244   1.405  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.074  -0.661   1.167  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.931   0.191   1.435  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.709   1.457   1.964  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.597   1.870   2.214  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.644   1.003   1.931  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.914  -0.010  -1.292  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        3.793   0.049  -0.546  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        3.431  -1.049   0.243  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        4.167  -2.234   0.275  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        3.600  -3.140   1.040  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        2.467  -2.540   1.522  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        5.357  -2.286  -0.502  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.355  -1.229   1.094  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        5.716  -1.225  -1.248  0.00  0.00    +0.051 A 
BRANCH   7  17
ATOM     16  C   LIG    1        4.692   2.161  -2.252  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.426   0.950  -2.124  0.00  0.00    -0.494 OA
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1       -2.218  -0.286   1.188  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -2.074  -1.240   0.840  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.977   0.478   0.173  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1       -4.467   0.072   0.239  0.00  0.00    +0.153 C 
ATOM     22  C   LIG    1       -4.646  -0.937  -0.911  0.00  0.00    +0.114 C 
ATOM     23  N   LIG    1       -3.310  -1.200  -1.460  0.00  0.00    -0.312 NA
ATOM     24  H   LIG    1       -3.363  -1.424  -2.452  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -2.581   0.058  -1.251  0.00  0.00    +0.105 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -5.277   1.241   0.035  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -6.633   1.030   0.412  0.00  0.00    +0.194 C 
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5