REMARK  Name = BDB013992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.823  -0.488   0.346  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.984   0.349  -0.621  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.532   1.268  -1.250  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.373   0.062  -0.755  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.980  -1.171  -0.333  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.731  -1.804   0.901  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.418  -3.007   1.204  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.315  -3.592   0.316  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.549  -2.983  -0.902  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.149  -1.306   2.026  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.889  -1.794  -1.217  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.228  -0.282   1.729  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.261  -0.707   0.774  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.196   0.012   0.287  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.349   0.830  -0.298  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.123  -1.781   1.358  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.637  -0.058   0.514  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.060  -0.348  -0.924  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.520  -0.054   2.777  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.660  -0.602   1.433  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.509  -1.615   1.485  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.138   1.000  -1.604  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.537   1.349  -1.110  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -3.693   1.216  -1.944  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -4.948   1.534  -1.372  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1       -6.103   1.403  -2.131  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.072   0.977  -3.458  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.856   0.678  -4.047  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -5.091   1.971  -0.115  0.00  0.00    -0.251 NA
ATOM     30  C   LIG    1       -3.978   2.134   0.631  0.00  0.00    +0.157 A 
ATOM     31  C   LIG    1       -3.681   0.798  -3.302  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -2.692   1.859   0.195  0.00  0.00    +0.143 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -1.555   2.062   0.928  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.709   2.559   2.252  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6