REMARK  Name = BDB010323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.932  -1.086  -0.428  0.00  0.00    +0.201 A 
ATOM      2  N   LIG    1       -0.813  -0.382  -0.009  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1        0.276  -0.893  -0.690  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.292  -1.788  -1.586  0.00  0.00    +0.185 A 
ATOM      5  N   LIG    1        0.399  -2.520  -2.471  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        1.718  -2.321  -2.379  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1        2.359  -1.481  -1.536  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1        1.661  -0.722  -0.672  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1       -1.645  -1.848  -1.455  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -3.160  -0.917   0.135  0.00  0.00    -0.304 N 
ATOM     11  C   LIG    1       -4.283  -0.996  -0.803  0.00  0.00    +0.132 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -3.394  -1.535   1.457  0.00  0.00    +0.110 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -4.342  -3.382   2.863  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -3.948  -2.975   1.438  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -2.949  -3.992   0.884  0.00  0.00    +0.009 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  16
ATOM     16  C   LIG    1        2.606  -3.100  -3.313  0.00  0.00    +0.375 C 
ATOM     17  O   LIG    1        3.823  -3.036  -3.387  0.00  0.00    -0.242 OA
BRANCH  16  18
ATOM     18  O   LIG    1        1.928  -3.940  -4.130  0.00  0.00    -0.475 OA
ATOM     19  H   LIG    1        2.626  -4.368  -4.664  0.00  0.00    +0.296 HD
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   8  20
ATOM     20  N   LIG    1        2.317   0.152   0.178  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.784   0.991   0.356  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.756   0.429   0.063  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1        4.093   1.123  -1.258  0.00  0.00    +0.028 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.652  -0.797   0.296  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        4.477  -1.544   1.649  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.641  -0.707   2.207  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        6.109  -0.499   0.755  0.00  0.00    +0.005 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   8  20
BRANCH   2  28
ATOM     28  C   LIG    1       -0.808   0.678   0.981  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.103   2.112   0.480  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -2.547   2.307   0.008  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.877   3.790  -0.197  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -1.737   4.611  -0.827  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1       -1.088   5.552   0.193  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -0.697   3.711  -1.498  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1       -0.111   2.639  -0.573  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10