REMARK  Name = BDB007001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.033   0.941  -0.873  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.116   0.469  -0.249  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.175  -0.205  -0.893  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -3.202  -0.484   0.013  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -4.356  -1.146  -0.393  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -4.473  -1.531  -1.729  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -3.440  -1.257  -2.642  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.862  -0.001   1.401  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -3.903   0.990   1.933  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -2.703  -1.180   2.368  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -2.281  -0.592  -2.222  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -1.502   0.700   1.155  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.223   0.855  -2.091  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        1.112   1.600   0.032  0.00  0.00    +0.141 C 
ATOM     15  C   LIG    1        1.550   2.931  -0.593  0.00  0.00    +0.034 C 
BRANCH  14  22
ATOM     16  C   LIG    1        5.371   0.285  -0.105  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1        4.232  -0.617  -0.594  0.00  0.00    +0.065 C 
ATOM     18  N   LIG    1        3.966  -1.717   0.357  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1        4.847  -2.133   0.654  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        3.228  -1.239   1.534  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        1.974  -0.407   1.184  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        2.286   0.724   0.293  0.00  0.00    -0.289 NA
ATOM     23  C   LIG    1        2.951   0.202  -0.921  0.00  0.00    +0.103 C 
ENDBRANCH  14  22
ENDBRANCH   1  14
BRANCH   7  24
ATOM     24  C   LIG    1       -3.576  -1.665  -4.010  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -3.705  -2.002  -5.113  0.00  0.00    -0.191 NA
ENDBRANCH   7  24
TORSDOF 3