REMARK  Name = BDB003605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.672   1.735  -0.421  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.543   0.690  -0.084  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -2.013  -0.602   0.006  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -0.664  -0.865  -0.214  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1       -0.388  -2.206  -0.051  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.542  -2.757   0.244  0.00  0.00    +0.200 A 
ATOM      7  C   LIG    1        0.227   0.187  -0.532  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -2.554  -1.835   0.291  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1       -0.313   1.485  -0.638  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.951  -2.125   0.592  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1       -4.570  -3.058  -0.450  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.120  -2.679   2.007  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   7  13
ATOM     13  N   LIG    1        1.600  -0.063  -0.762  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1        1.729  -1.077  -0.671  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.480   0.629   0.175  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.893   0.120   0.003  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        4.627   0.443  -1.148  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        5.930  -0.027  -1.313  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.512  -0.828  -0.332  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.789  -1.164   0.811  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.485  -0.695   0.978  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   1  22
ATOM     22  O   LIG    1       -2.284   2.959  -0.492  0.00  0.00    -0.492 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -0.830   4.813   0.077  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -1.557   4.064  -1.026  0.00  0.00    +0.225 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6