REMARK  Name = BDB021734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.347   0.878   0.651  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.500   0.143   0.972  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.380  -1.223   0.830  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.445  -1.591   0.817  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.528   0.700   1.350  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.401  -2.194   0.933  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        4.764  -1.876   0.994  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        5.676  -2.936   1.084  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.291  -4.270   1.106  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        6.505  -4.986   1.200  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1        7.575  -4.187   1.235  0.00  0.00    -0.181 NA
ATOM     12  C   LIG    1        3.927  -4.587   1.034  0.00  0.00    +0.013 A 
ATOM     13  N   LIG    1        7.043  -2.952   1.166  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        7.669  -2.155   1.180  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1        2.998  -3.538   0.946  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1       -2.907   0.610   0.288  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1       -2.144   0.571  -0.965  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -0.756   1.184  -0.791  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        0.085   0.290   0.132  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1       -0.770  -0.306   1.266  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.072   0.462   1.491  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.152  -0.196   0.314  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -5.113   0.406   1.358  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.873  -0.289  -1.060  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.707  -1.335  -2.442  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -6.154  -1.133  -1.039  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1        1.384   2.311   0.977  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.679   3.215  -0.203  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        2.712   2.930  -1.108  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.983   3.789  -2.175  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.234   4.951  -2.345  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.218   5.259  -1.444  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.947   4.401  -0.376  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7