REMARK  Name = BDB048485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.345  -0.042   0.099  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.036   0.156   0.368  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1       -0.233   0.762  -0.539  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -0.735   1.210  -1.766  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.089   0.990  -2.068  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.691   1.415  -3.380  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.889   0.349  -1.115  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.059  -0.677   1.110  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -2.405  -0.989   1.819  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -8.028  -0.499   1.349  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -6.579  -0.757   1.481  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -6.070  -1.646   2.382  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -6.574  -2.227   3.045  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -4.733  -1.716   2.370  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -4.356  -0.877   1.401  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1       -5.481  -0.232   0.835  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.111   0.993  -0.192  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.735   0.691  -0.941  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.535   0.412   1.088  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.023   0.702   1.321  0.00  0.00    +0.247 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.780  -0.012   0.336  0.00  0.00    -0.489 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.142   0.099   0.386  0.00  0.00    +0.141 A 
ATOM     23  C   LIG    1        5.873  -0.635  -0.558  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1        5.172  -1.493  -1.571  0.00  0.00    +0.069 C 
ATOM     25  N   LIG    1        7.232  -0.622  -0.621  0.00  0.00    -0.257 NA
ATOM     26  C   LIG    1        7.885   0.145   0.275  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        7.249   0.904   1.240  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.857   0.879   1.295  0.00  0.00    +0.049 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1        0.122   1.874  -2.704  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.800   2.393  -3.491  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 8