REMARK  Name = BDB012203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.130   0.605  -0.491  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1       -0.320   0.808   0.482  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.053   1.015  -1.433  0.00  0.00    +0.213 C 
ATOM      4  O   LIG    1       -0.842   0.993  -2.640  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.131   0.052  -0.324  0.00  0.00    +0.174 C 
ATOM      6  C   LIG    1        3.220  -1.167  -0.134  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        1.789  -0.755   0.197  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        1.210   0.182  -0.869  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1        2.122   1.397  -1.086  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1        3.552   0.975  -1.405  0.00  0.00    +0.046 C 
BRANCH   5  11
ATOM     11  O   LIG    1        5.420  -0.365  -0.781  0.00  0.00    -0.489 OA
BRANCH  11  14
ATOM     12  C   LIG    1        8.723  -1.308   0.376  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        7.637  -0.958  -0.433  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        6.385  -0.690   0.129  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1        6.225  -0.783   1.512  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        7.307  -1.133   2.325  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        8.555  -1.394   1.760  0.00  0.00    +0.019 A 
BRANCH  12  19
ATOM     18  N   LIG    1       11.040  -1.796  -0.683  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       10.002  -1.577  -0.213  0.00  0.00    +0.099 C 
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.341   1.521  -0.810  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.431   1.758  -1.857  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.705   2.354  -1.260  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.521   1.408  -0.404  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -6.589   1.991   0.230  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -6.790   2.974   0.114  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -7.449   1.304   1.048  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -8.388   1.852   1.611  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -7.164  -0.132   1.205  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -6.060  -0.645   0.519  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -5.769  -2.005   0.647  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -6.565  -2.830   1.448  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -7.663  -2.301   2.128  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.968  -0.946   2.009  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.235   0.152  -0.293  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8