REMARK  Name = BDB058177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.705  -0.313   0.434  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.578   0.939  -0.105  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -1.551   2.064  -0.278  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -0.548   3.214  -0.442  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        0.601   2.613  -1.133  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        1.761   3.478  -1.246  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        1.287   4.773  -1.951  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1        0.126   5.372  -1.321  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -0.980   4.438  -1.246  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.669   1.331  -0.575  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.756   0.577  -0.516  0.00  0.00    -0.211 NA
ATOM     12  C   LIG    1        1.576  -0.630   0.048  0.00  0.00    +0.183 A 
ATOM     13  N   LIG    1        0.387  -1.095   0.525  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -4.188  -0.279  -0.002  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.906  -1.097  -0.191  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.947  -0.780   0.908  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -1.798  -1.875   1.901  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.156  -2.530   2.187  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.785  -3.095   1.024  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.236  -2.610  -0.210  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.745  -1.529   0.167  0.00  0.00    +0.126 A 
ATOM     22  N   LIG    1        3.963  -1.084  -0.257  0.00  0.00    -0.247 NA
ATOM     23  C   LIG    1        4.998  -1.952  -0.130  0.00  0.00    +0.154 A 
ATOM     24  C   LIG    1        4.870  -3.224   0.418  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        3.679  -3.678   0.838  0.00  0.00    -0.237 NA
ATOM     26  C   LIG    1        2.635  -2.813   0.700  0.00  0.00    +0.144 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.948  -4.099   0.528  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1        5.605  -4.937   0.991  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        6.724  -3.682   1.029  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3