REMARK  Name = BDB013106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.717   0.188   0.414  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.067  -0.870  -0.122  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.430  -0.704  -0.125  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.941  -1.868  -0.617  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.961  -2.675  -0.957  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.061   0.452   0.342  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.344   1.420   0.847  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.224  -2.045  -0.643  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.029   1.265   0.859  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.995   0.120   0.486  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1        4.321  -0.278  -0.611  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.963  -0.257  -0.592  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.195   0.185   0.478  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.900   0.598   1.608  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.298   0.570   1.608  0.00  0.00    +0.044 A 
BRANCH  10  22
ATOM     16  O   LIG    1        9.183   0.207  -1.838  0.00  0.00    -0.274 OA
ATOM     17  C   LIG    1        8.522  -0.103  -0.850  0.00  0.00    +0.230 C 
ATOM     18  N   LIG    1        9.154  -0.437   0.326  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       10.164  -0.492   0.282  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        8.398  -1.064   1.381  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        7.098  -0.302   1.683  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1        6.386   0.102   0.462  0.00  0.00    -0.305 N 
ATOM     23  C   LIG    1        6.989  -0.220  -0.851  0.00  0.00    +0.202 C 
ENDBRANCH  10  22
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -3.432   0.576   0.296  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.687   1.366   0.891  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.082   0.775  -0.996  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.542   1.071  -0.780  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -6.448   0.084  -0.405  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.231  -1.352  -0.104  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.685  -1.821  -0.064  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.540  -0.689   0.211  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.783   0.388  -0.172  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.277   1.669  -0.296  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1       -7.390   2.675  -0.676  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.036   2.381  -0.915  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5