REMARK  Name = BDB065394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.310   1.819   0.536  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1       -3.033   1.978   1.871  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1       -1.831   1.469   2.108  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -1.358   0.995   0.943  0.00  0.00    -0.251 N 
ATOM      5  C   LIG    1       -2.241   1.194  -0.072  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -4.599   2.283  -0.043  0.00  0.00    +0.185 C 
BRANCH   6  11
ATOM      7  C   LIG    1       -6.979  -1.013  -0.843  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -6.254  -0.532  -1.802  0.00  0.00    -0.178 NA
ATOM      9  C   LIG    1       -5.445   0.556  -1.571  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1       -4.725   1.002  -2.462  0.00  0.00    -0.244 OA
ATOM     11  N   LIG    1       -5.470   1.140  -0.302  0.00  0.00    -0.293 N 
ATOM     12  C   LIG    1       -6.227   0.614   0.720  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -6.999  -0.452   0.522  0.00  0.00    +0.061 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -7.761  -2.095  -1.140  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -7.831  -2.245  -2.143  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1       -8.655  -2.156  -0.669  0.00  0.00    +0.144 HD
ENDBRANCH   7  14
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  17
ATOM     17  C   LIG    1       -0.059   0.360   0.880  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.066   1.380   0.712  0.00  0.00    +0.024 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.462   0.754   0.758  0.00  0.00    +0.006 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.748  -0.175  -0.424  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.170  -0.681  -0.398  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        5.180   0.003  -1.091  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.498  -0.458  -1.058  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        6.816  -1.602  -0.317  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1        5.814  -2.298   0.364  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        4.498  -1.834   0.330  0.00  0.00    +0.004 A 
BRANCH  24  27
ATOM     27  C   LIG    1        8.201  -2.121  -0.259  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        8.473  -3.306  -0.315  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        9.119  -1.146  -0.090  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.743  -0.269   0.112  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 10