REMARK  Name = BDB017051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.666  -1.009   0.896  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        1.062  -1.437   2.147  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.484  -2.509   2.922  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        2.127  -0.682   2.543  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        2.446   0.211   1.639  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.539   0.036   0.606  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -0.880  -3.739  -2.985  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.192  -2.979  -1.730  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -0.163  -2.355  -1.009  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -0.439  -1.609   0.146  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -1.774  -1.473   0.554  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1       -2.805  -2.098  -0.149  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -2.515  -2.839  -1.294  0.00  0.00    +0.007 A 
BRANCH  11  14
ATOM     14  O   LIG    1       -2.101  -0.777   1.691  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.327   0.602   1.371  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.414   1.364   2.659  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -1.163   1.851   3.342  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -2.100   2.837   2.700  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1        1.553   0.884  -0.585  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        0.487   0.825  -1.423  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        0.495   1.614  -2.516  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        1.522   2.482  -2.826  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        2.608   2.539  -1.955  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        2.627   1.732  -0.817  0.00  0.00    +0.045 A 
BRANCH  23  25
ATOM     25  C   LIG    1        3.759   3.438  -2.198  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        4.750   3.539  -1.502  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        3.613   4.176  -3.314  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        4.433   4.713  -3.344  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   6  19
TORSDOF 7