REMARK  Name = BDB004019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.238   0.146   0.752  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.019   0.225   0.288  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.037   0.130   1.161  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.810  -0.035   2.511  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.498  -0.100   2.903  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.532  -0.016   2.048  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.224   0.242  -0.226  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -0.775   0.338  -1.125  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -5.457   0.168  -0.313  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -4.788   0.062   0.909  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.387   0.084   0.955  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.621   0.212  -0.209  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.308   0.319  -1.429  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -4.707   0.298  -1.485  0.00  0.00    +0.017 A 
BRANCH   9  15
ATOM     15  C   LIG    1       -6.941   0.151  -0.422  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1       -7.540   0.244  -1.482  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1       -8.938  -0.006   0.776  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1       -7.511   0.018   0.802  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        3.384   0.206   0.727  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        3.897  -0.592   1.104  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.873   0.548  -0.562  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.087   0.025  -1.073  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1        5.566   0.459  -2.326  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.870   1.408  -3.072  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.695   1.946  -2.568  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.212   1.529  -1.325  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.941  -0.986  -0.379  0.00  0.00    +0.341 C 
ATOM     28  O   LIG    1        7.075  -1.266  -0.739  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.295  -1.565   0.668  0.00  0.00    -0.464 OA
ATOM     30  C   LIG    1        6.062  -2.573   1.333  0.00  0.00    +0.280 C 
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8