REMARK  Name = BDB015125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.629   1.095   0.206  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.698   0.073  -0.024  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.398   0.359  -0.456  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.022   1.684  -0.659  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.943   2.709  -0.435  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -3.240   2.417  -0.006  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.968   1.524   1.000  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -4.919   0.707   0.622  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -5.059  -0.288   0.742  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.910   2.739   1.141  0.00  0.00    -0.268 OA
BRANCH   7  13
ATOM     11  C   LIG    1       -7.397  -0.567  -0.844  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1       -7.776  -0.161   0.491  0.00  0.00    -0.262 N 
ATOM     13  C   LIG    1       -7.180   0.790   1.283  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1       -8.034   0.938   2.362  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -9.039  -0.025   2.176  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -8.866  -0.721   1.051  0.00  0.00    -0.179 NA
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  O   LIG    1       -0.604  -0.741  -0.634  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.716  -0.514  -1.151  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.417  -1.874  -1.302  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.780  -2.616  -2.357  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        1.043  -3.547  -2.253  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.912  -1.719  -1.658  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.715  -0.959  -0.687  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.035  -0.638  -1.273  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.991   0.023  -0.303  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.804  -0.089   1.085  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.720   0.506   1.963  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.830   1.187   1.466  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.030   1.284   0.091  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.585  -0.792   1.623  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.117   0.703  -0.789  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.908  -1.689   0.576  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8