REMARK  Name = BDB012209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.443   0.259  -1.252  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1       -0.429   1.184  -1.664  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.457  -0.603  -1.610  0.00  0.00    +0.213 C 
ATOM      4  O   LIG    1       -1.482  -1.785  -1.286  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.670  -0.076  -0.037  0.00  0.00    +0.174 C 
ATOM      6  C   LIG    1        2.654   0.511   0.950  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        1.372   0.947   0.247  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        0.743  -0.204  -0.546  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1        1.754  -0.815  -1.524  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1        3.036  -1.237  -0.814  0.00  0.00    +0.046 C 
BRANCH   5  11
ATOM     11  O   LIG    1        4.790  -0.615   0.672  0.00  0.00    -0.489 OA
BRANCH  11  16
ATOM     12  C   LIG    1        8.174   1.595   1.714  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        8.088   0.216   1.924  0.00  0.00    +0.062 A 
ATOM     14 CL   LIG    1        9.380  -0.686   2.633  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        6.931  -0.477   1.556  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1        5.849   0.191   0.974  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        5.931   1.567   0.769  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        7.087   2.265   1.136  0.00  0.00    +0.024 A 
BRANCH  12  20
ATOM     19  N   LIG    1       10.264   2.993   2.350  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        9.339   2.349   2.074  0.00  0.00    +0.101 C 
ENDBRANCH  12  20
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.583   0.083  -2.362  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.578  -0.861  -3.043  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.294  -1.892  -2.165  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.763  -1.331  -0.846  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -3.921  -1.526   0.216  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.022  -1.980   0.074  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.159  -1.019   1.468  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -3.355  -1.123   2.387  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.442  -0.314   1.629  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -6.250  -0.180   0.496  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.470   0.488   0.623  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -7.870   1.011   1.857  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -7.051   0.870   2.978  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -5.830   0.206   2.867  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.881  -0.686  -0.763  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8