REMARK  Name = BDB003850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.641  -0.462   1.575  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.696  -1.027   1.826  0.00  0.00    +0.102 C 
ATOM      3  C   LIG    1       -1.188  -0.493   0.462  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1       -2.522   0.310   0.444  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -2.878   1.191   1.219  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.281  -0.161  -0.596  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -2.726  -1.248  -1.225  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -3.233  -1.903  -2.124  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.362  -1.528  -0.644  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        0.128   0.315   0.434  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.661   0.241  -0.848  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -5.559  -0.347   0.246  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.254  -1.329   0.921  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.788   0.254   0.395  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.389  -0.138   1.108  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.244   1.400  -0.208  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.349   1.860   0.063  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.348   2.016  -1.259  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.880   1.748  -0.962  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.587  -1.507   1.157  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     21  C   LIG    1        5.511   0.064   0.193  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        4.818  -0.725  -0.734  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        3.550  -1.228  -0.424  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.954  -0.948   0.814  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        3.657  -0.164   1.741  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.923   0.340   1.433  0.00  0.00    +0.015 A 
BRANCH  21  27
ATOM     27  C   LIG    1        6.862   0.625  -0.085  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        7.488   1.307   0.712  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1        8.574   0.775  -1.665  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1        7.281   0.272  -1.326  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH  21  27
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5