REMARK  Name = BDB031046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.675  -1.944  -0.685  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.589  -1.631  -1.050  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.582  -1.910  -0.187  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.349  -2.523   1.038  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.044  -2.852   1.395  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.991  -2.559   0.517  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.435   0.503  -0.351  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -3.270  -0.182  -0.335  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -2.815  -0.852  -1.478  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -3.499  -0.829  -2.689  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -2.852  -1.476  -3.632  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -1.714  -1.938  -3.026  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -4.733  -0.128  -2.723  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.677  -1.615  -1.681  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -5.181   0.501  -1.621  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -5.172   2.773   0.489  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.022   1.278   0.844  0.00  0.00    -0.011 C 
ATOM     18  C   LIG    1       -6.403   0.702   1.226  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.135   1.200   2.110  0.00  0.00    +0.015 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        2.862  -1.569  -0.626  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        2.676  -1.173  -1.550  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.574  -0.624   0.227  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1        4.389   0.360  -0.625  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        5.500   0.836   0.323  0.00  0.00    -0.003 C 
ATOM     25  C   LIG    1        5.455   2.333   0.729  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1        6.376   2.632  -0.389  0.00  0.00    -0.315 NA
ATOM     27  H   LIG    1        5.893   2.871  -1.255  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        6.840   1.228  -0.354  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1        5.563  -0.160   1.484  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        4.668  -1.313   1.041  0.00  0.00    +0.023 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4