REMARK  Name = BDB017007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.675  -0.024   0.692  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.949   0.311   0.320  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.716  -0.807   0.597  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.916  -1.794   1.142  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.706  -1.289   1.196  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.150  -0.960   0.357  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.633  -2.227   0.404  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.950  -2.418   0.190  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.835  -1.395  -0.077  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.330  -0.097  -0.123  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.970   0.131   0.096  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.273   1.008  -0.406  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        8.469   0.891  -0.599  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.674   2.211  -0.436  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.407   2.833  -0.630  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.498   0.819   0.587  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.034   0.945  -0.847  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.437  -0.294  -1.527  0.00  0.00    -0.310 NA
ATOM     19  H   LIG    1       -0.640  -0.932  -1.569  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.556  -0.998  -0.886  0.00  0.00    +0.120 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.511   0.122   0.323  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.851  -0.214  -0.875  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.419   0.172  -2.103  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.615   0.884  -2.146  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.261   1.218  -0.960  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.711   0.841   0.268  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -4.621  -0.093   2.697  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -3.901  -0.278   1.484  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9