REMARK  Name = BDB005616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.057  -0.916   0.786  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.650   0.016  -0.101  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.836   0.574  -1.107  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.357   1.525  -1.992  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.775   1.940  -2.705  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.641   1.981  -1.952  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.530   1.385  -0.925  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.960   1.865  -0.906  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.886   0.969  -0.074  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.205   0.526   1.216  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.937  -0.092   0.882  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.448  -0.565   1.644  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.032   2.842  -2.735  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.509   0.218  -1.253  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.088  -0.704  -0.381  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.076   0.459  -0.058  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.296  -1.264   0.634  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.333  -2.514   2.552  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.842  -1.422   1.796  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.541  -1.104  -0.530  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.331  -0.882   0.692  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        4.642  -1.545   0.635  0.00  0.00    +0.092 C 
ATOM     23  C   LIG    1        5.635  -0.893  -0.317  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1        5.719   0.586  -0.035  0.00  0.00    +0.136 C 
ATOM     25  O   LIG    1        6.795   1.183  -0.058  0.00  0.00    -0.297 OA
ATOM     26  C   LIG    1        4.413   1.322   0.129  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        3.491   0.537   1.052  0.00  0.00    +0.092 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3