REMARK  Name = BDB012801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.021   3.634  -1.082  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -1.507   2.215  -1.087  0.00  0.00    +0.040 A 
ATOM      3  N   LIG    1       -0.667   1.274  -1.579  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1       -1.086  -0.012  -1.595  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -2.341  -0.385  -1.115  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.200   0.591  -0.609  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -2.771   1.913  -0.595  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.146  -1.073  -2.136  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        0.568  -1.827  -1.010  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1        1.808  -1.103  -0.782  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        2.681  -1.515   0.210  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1        2.456  -2.538   0.856  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.078  -0.179  -1.878  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        1.041  -0.525  -2.942  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1        3.854  -0.716   0.451  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1        3.913   0.649   0.435  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1        3.152   1.299   0.267  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        5.131   1.152   0.692  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1        5.875   0.074   0.967  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        5.116  -1.115   0.846  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1        7.320   0.227   1.348  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        7.586  -0.287   2.764  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        8.243  -0.464   0.344  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  N   LIG    1       -4.457   0.165  -0.126  0.00  0.00    -0.281 N 
ATOM     25  H   LIG    1       -4.642  -0.828  -0.188  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -5.489   0.963   0.335  0.00  0.00    +0.248 C 
ATOM     27  O   LIG    1       -5.525   2.187   0.335  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1       -6.679   0.218   0.834  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1       -7.951   0.755   0.599  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -9.088   0.084   1.051  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.958  -1.117   1.746  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.692  -1.647   2.001  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.551  -0.980   1.550  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH   6  24
TORSDOF 5