REMARK  Name = BDB013213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.117   1.426  -0.339  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.306   0.546   0.697  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.659   0.378   0.861  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.797  -0.441   1.942  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.613  -0.810   2.376  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.612   0.997   0.050  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.228   1.816  -0.892  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.331  -0.184   1.590  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.869   1.999  -1.068  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.800   0.918  -1.038  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1        4.222   2.181  -1.266  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        3.330   3.188  -1.167  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        1.994   3.010  -0.867  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        1.533   1.711  -0.668  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        2.457   0.662  -0.756  0.00  0.00    +0.052 A 
BRANCH  10  20
ATOM     16  C   LIG    1        7.921  -1.103   0.463  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        7.122  -1.790  -0.550  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        6.971  -0.968  -1.773  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        6.035   0.256  -1.639  0.00  0.00    +0.122 C 
ATOM     20  N   LIG    1        4.711  -0.154  -1.124  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1        4.798  -0.938   0.127  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1        5.775  -2.129  -0.039  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -3.957   0.771   0.245  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.463   1.498  -0.262  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.517  -0.519  -0.151  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.018  -0.476  -0.009  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1       -6.700  -0.859   1.171  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -8.087  -0.766   1.208  0.00  0.00    +0.135 A 
ATOM     29  O   LIG    1       -8.561  -1.178   2.416  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1       -7.485  -1.534   3.163  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1       -8.875  -0.312   0.154  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1       -8.200   0.074  -1.005  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.322  -1.357   2.450  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1       -6.806  -0.002  -1.085  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5