REMARK  Name = BDB021869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.723  -2.196  -1.790  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.739  -1.529  -1.101  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.373  -0.356  -0.488  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.382  -0.193  -0.369  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.881  -1.986  -1.069  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -1.780   0.558  -0.648  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -1.191   0.806  -1.972  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -0.830  -0.451  -2.771  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.682  -1.758  -1.973  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.515  -1.841  -0.689  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.520  -0.701  -0.588  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -2.522   1.741  -0.139  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.915   1.913  -0.760  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.578   1.697   1.410  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.546   2.948   2.445  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -3.074   2.994   2.064  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.214   0.573   0.165  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        1.597   1.637   0.829  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        2.350   2.609   1.502  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.740   2.537   1.519  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        4.361   1.480   0.845  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.606   0.510   0.171  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1        4.574   3.463   2.177  0.00  0.00    -0.286 N 
ATOM     24  H   LIG    1        5.566   3.280   2.111  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        4.188   4.581   2.893  0.00  0.00    +0.214 C 
ATOM     26  O   LIG    1        3.042   4.989   3.066  0.00  0.00    -0.276 OA
ATOM     27  C   LIG    1        5.356   5.339   3.478  0.00  0.00    +0.109 C 
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  28
ATOM     28  C   LIG    1        1.066  -3.506  -2.358  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.485  -4.650  -1.557  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -0.490  -5.492  -2.111  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.024  -6.543  -1.363  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.589  -6.765  -0.058  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.384  -5.939   0.501  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.919  -4.888  -0.245  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8