REMARK  Name = BDB013757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.287   0.791  -2.737  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -0.626   0.675  -1.247  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1        0.303  -0.282  -0.629  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1        0.257  -1.191  -1.071  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1        1.530   0.096  -0.112  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        2.514  -0.952   0.275  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.773  -0.538   0.696  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.748  -1.480   1.053  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.455  -2.842   1.000  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.189  -3.262   0.601  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.070   0.900   0.791  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1        5.197   1.263   1.122  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        3.021   1.763   0.506  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1        3.231   3.197   0.564  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1        2.218  -2.322   0.241  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        1.803   1.363   0.028  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  C   LIG    1       -2.144   0.310  -0.965  0.00  0.00    +0.108 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.664   0.829   0.393  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1       -1.901   1.176   1.447  0.00  0.00    +0.091 A 
ATOM     20  N   LIG    1       -2.464   1.651   2.606  0.00  0.00    -0.329 N 
ATOM     21  H   LIG    1       -1.872   1.907   3.387  0.00  0.00    +0.168 HD
ATOM     22  C   LIG    1       -3.812   1.817   2.800  0.00  0.00    +0.249 A 
ATOM     23  O   LIG    1       -4.290   2.244   3.844  0.00  0.00    -0.268 OA
ATOM     24  C   LIG    1       -4.673   1.442   1.654  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1       -4.113   0.979   0.527  0.00  0.00    +0.012 A 
ENDBRANCH  17  18
BRANCH  17  26
ATOM     26  N   LIG    1       -2.648  -1.070  -1.212  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -2.280  -2.082  -0.230  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -2.495  -1.558  -2.572  0.00  0.00    +0.105 C 
ENDBRANCH  17  26
ENDBRANCH   2  17
TORSDOF 5