REMARK  Name = BDB013722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.469   0.171  -0.197  0.00  0.00    -0.321 N 
ATOM      2  H   LIG    1        0.214   1.114   0.099  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.834  -0.046  -0.233  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1        2.703   1.153  -0.112  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        4.066   0.990  -0.169  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        4.866   2.126  -0.052  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.259   3.370   0.121  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        2.873   3.432   0.172  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        4.619  -0.354  -0.339  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1        5.838  -0.486  -0.413  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.702  -1.400  -0.400  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        4.164  -2.763  -0.587  0.00  0.00    +0.176 C 
ATOM     13  N   LIG    1        2.069   2.352   0.061  0.00  0.00    -0.251 NA
ATOM     14  N   LIG    1        2.336  -1.240  -0.366  0.00  0.00    -0.151 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.513  -0.870   0.126  0.00  0.00    +0.093 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -0.462   0.111   2.552  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -0.549  -1.117   1.651  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -1.890  -0.573  -0.605  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.706   0.566   0.021  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -3.740   0.343   0.943  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.448   1.411   1.504  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.137   2.720   1.149  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.123   2.965   0.229  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.417   1.899  -0.332  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  N   LIG    1       -2.759  -1.731  -0.992  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -2.441  -2.187  -2.350  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -2.749  -2.874  -0.086  0.00  0.00    +0.105 C 
ENDBRANCH  18  25
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6