REMARK  Name = BDB004667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.762   0.347  -0.290  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.740  -0.531   0.221  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.932  -0.650  -0.521  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.917  -1.537  -0.035  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.723  -2.268   1.154  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.554  -2.130   1.884  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.106   0.072  -1.651  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.124   0.900  -2.026  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.571  -1.266   1.422  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.962   1.073  -1.401  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.224  -1.770  -0.726  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.060  -2.546  -0.275  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.479  -1.097  -1.883  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.806  -0.435  -2.259  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.365  -1.234  -2.346  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.459   0.499   0.398  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.884  -0.412   0.542  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.409   1.423  -0.210  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -3.764  -0.312  -0.979  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -3.788   0.565   0.242  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1       -2.696   1.388   0.593  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -2.778   2.174   1.758  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.928   2.172   2.546  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.011   1.379   2.186  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.942   0.581   1.044  0.00  0.00    +0.003 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4