REMARK  Name = BDB031302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.176  -0.802  -0.387  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.970  -0.321   0.181  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1        3.016   0.606   1.372  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1        1.706   0.608   2.133  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        0.573   0.852   1.159  0.00  0.00    +0.115 C 
ATOM      6  N   LIG    1        0.486  -0.195   0.136  0.00  0.00    -0.255 N 
ATOM      7  C   LIG    1       -0.774  -0.715  -0.239  0.00  0.00    +0.311 C 
ATOM      8  N   LIG    1       -1.800   0.211  -0.108  0.00  0.00    -0.269 N 
ATOM      9  H   LIG    1       -1.503   1.175  -0.155  0.00  0.00    +0.156 HD
ATOM     10  O   LIG    1       -0.948  -1.860  -0.647  0.00  0.00    -0.252 OA
ATOM     11  C   LIG    1        1.730  -0.717  -0.381  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        1.752  -1.591  -1.483  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        2.946  -2.091  -2.007  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        4.158  -1.701  -1.458  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -3.187  -0.019  -0.233  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -4.011   1.114  -0.337  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -5.366   0.899  -0.443  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -5.920  -0.378  -0.440  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1       -7.298  -0.249  -0.560  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -7.980  -0.989  -0.590  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -7.618   1.113  -0.638  0.00  0.00    +0.325 A 
ATOM     22  O   LIG    1       -8.730   1.596  -0.750  0.00  0.00    -0.247 OA
ATOM     23  C   LIG    1       -5.146  -1.505  -0.330  0.00  0.00    +0.029 A 
ATOM     24  N   LIG    1       -6.406   1.815  -0.563  0.00  0.00    -0.306 N 
ATOM     25  H   LIG    1       -6.341   2.819  -0.598  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -3.761  -1.313  -0.221  0.00  0.00    +0.025 A 
ENDBRANCH   8  15
BRANCH   1  27
ATOM     27  C   LIG    1        5.520  -0.420   0.106  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        6.411  -1.220   0.334  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1        6.895   1.402   0.581  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1        5.609   0.931   0.174  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 3