REMARK  Name = BDB032048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.211   0.039   0.825  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.115  -0.160   0.949  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.520  -0.525   2.164  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.830  -0.805   2.581  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -1.796  -1.214   3.933  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -0.452  -1.113   4.344  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        0.066  -1.458   5.636  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -2.739  -1.588   4.611  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.306  -0.707   3.248  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.630  -0.486   3.054  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        2.094  -0.109   1.843  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.002  -0.849   1.728  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -3.021  -2.101   0.843  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -4.114  -1.959  -0.212  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -3.853  -0.857  -1.150  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -3.068   0.244  -0.575  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -3.259   0.439   0.929  0.00  0.00    +0.040 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -5.092  -0.425  -1.811  0.00  0.00    +0.112 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.860   0.293  -3.150  0.00  0.00    +0.171 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -6.106   0.661  -3.737  0.00  0.00    -0.394 OA
ATOM     21  H   LIG    1       -6.522   1.315  -3.150  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  22
ATOM     22  N   LIG    1        1.617   0.399  -0.457  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        0.803   0.410  -1.053  0.00  0.00    +0.155 HD
BRANCH  22  26
ATOM     24  C   LIG    1        1.718   0.825  -3.332  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1        2.922   0.955  -2.437  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1        2.842   0.746  -1.043  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.024   0.878  -0.302  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        5.251   1.216  -0.906  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.323   1.430  -2.293  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        6.470   1.757  -2.917  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        7.586   1.878  -2.166  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        7.619   1.688  -0.798  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        6.431   1.351  -0.161  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1        4.157   1.295  -3.029  0.00  0.00    +0.033 A 
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6