REMARK  Name = BDB015130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.136  -2.037   0.979  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.732  -1.931   0.861  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.876  -2.926   1.342  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.420  -4.058   1.947  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.799  -4.194   2.081  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.645  -3.192   1.603  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.670   2.968  -1.509  0.00  0.00    +0.150 C 
ATOM      8  N   LIG    1        6.678   1.702  -0.822  0.00  0.00    -0.331 N 
ATOM      9  C   LIG    1        5.585   0.954  -0.484  0.00  0.00    +0.106 A 
ATOM     10  C   LIG    1        6.107  -0.159   0.149  0.00  0.00    +0.181 A 
ATOM     11  N   LIG    1        5.355  -1.155   0.642  0.00  0.00    -0.206 NA
ATOM     12  C   LIG    1        4.036  -0.977   0.464  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        3.448   0.088  -0.145  0.00  0.00    -0.233 NA
ATOM     14  N   LIG    1        7.474  -0.099   0.201  0.00  0.00    -0.216 NA
ATOM     15  C   LIG    1        4.224   1.078  -0.633  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        7.789   1.032  -0.392  0.00  0.00    +0.202 A 
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  O   LIG    1       -0.490  -2.923   1.274  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.153  -1.749   0.788  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.294  -1.776  -0.741  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.322  -2.708  -1.121  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -3.161  -2.230  -0.962  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -1.654  -0.399  -1.340  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.033   0.003  -0.977  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.023   1.056   0.061  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.399   1.598   0.387  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.455   1.480  -0.532  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.711   2.019  -0.225  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.911   2.696   0.978  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.861   2.833   1.883  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.253   0.714  -1.814  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.610   2.291   1.589  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.771   0.501  -2.152  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7