REMARK  Name = BDB034977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.349   1.251   1.399  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.414   0.553   0.451  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.036   0.743   0.557  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.236   0.051  -0.379  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1        0.137   0.226  -0.294  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.692   1.039   0.690  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -0.173   1.691   1.549  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1       -1.727  -0.758  -1.336  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.053  -0.922  -1.415  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -1.516   1.553   1.509  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1       -3.927  -0.286  -0.547  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -3.545  -1.759  -2.420  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.089  -2.511  -2.008  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.152  -1.232  -3.039  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  O   LIG    1        2.034   1.291   0.833  0.00  0.00    -0.453 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.912   0.270   0.543  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1        3.933   0.494  -0.388  0.00  0.00    +0.094 A 
ATOM     18  C   LIG    1        4.853  -0.527  -0.660  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.762  -1.752   0.005  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.759  -1.960   0.951  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.838  -0.949   1.228  0.00  0.00    +0.047 A 
BRANCH  17  22
ATOM     22  C   LIG    1        4.050   1.748  -1.072  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        4.164   2.756  -1.637  0.00  0.00    -0.191 NA
ENDBRANCH  17  22
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 4