REMARK  Name = BDB021856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.099  -2.223  -0.276  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.332  -1.561  -0.367  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.261  -0.195  -0.506  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.342   0.201  -0.479  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.387  -2.190  -0.321  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.311   0.745  -0.643  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.984   2.118  -0.728  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        1.560   2.611  -0.673  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        4.012   3.075  -0.867  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        5.349   2.688  -0.924  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        5.662   1.335  -0.843  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.657   0.373  -0.704  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.426   3.520  -1.058  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        6.159   4.913  -1.140  0.00  0.00    +0.277 C 
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -2.029   0.654  -0.417  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -1.911  -0.077   0.852  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.543  -0.748   0.949  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.261  -1.628  -0.278  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -0.625  -0.969  -1.617  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -1.987  -0.282  -1.550  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.200   1.561  -0.491  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -2.926   2.805   0.368  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.555   0.903  -0.141  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.071   1.086  -0.172  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.757   1.813  -0.417  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        1.155  -3.679  -0.092  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.834  -4.096   1.326  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -0.344  -4.799   1.620  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.638  -5.170   2.933  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.242  -4.846   3.964  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.417  -4.152   3.684  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.713  -3.780   2.372  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8