REMARK  Name = BDB015931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.265   1.802  -0.150  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.380   0.641   0.072  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.721   0.652   0.170  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.450   1.828   0.003  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.696   2.969  -0.204  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.350   2.988  -0.283  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.843   0.470  -0.272  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.442   0.536  -0.195  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.738   1.761  -0.237  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.500   2.935  -0.362  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.894   2.892  -0.436  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.559   1.667  -0.389  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.256  -3.123  -0.698  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.042  -2.396  -0.422  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.986  -3.047   0.090  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.057  -2.093   0.204  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.517  -0.821  -0.222  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.815  -1.066  -0.628  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.904   1.911   0.028  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -4.530   2.945   0.615  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.839   2.696   0.436  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.815   3.626   0.950  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -6.084   1.543  -0.244  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.850   1.011  -0.532  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.384  -0.574   0.443  0.00  0.00    -0.317 N 
ATOM     26  H   LIG    1       -3.054  -0.391   1.191  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.793  -1.900   0.584  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -0.606  -2.002   1.563  0.00  0.00    +0.190 C 
ATOM     29  O   LIG    1        0.155  -2.764   0.580  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1       -0.749  -2.307  -0.476  0.00  0.00    +0.190 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -2.904  -2.935   0.819  0.00  0.00    +0.186 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.447  -4.288   0.784  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -1.507  -4.322   1.043  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7