REMARK  Name = BDB015081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.235  -1.032  -0.755  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.038  -0.352  -1.038  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.975  -0.978  -1.702  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.101  -2.312  -2.078  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.281  -3.007  -1.808  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.339  -2.372  -1.155  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        8.469   3.669   0.993  0.00  0.00    +0.172 C 
ATOM      8  N   LIG    1        7.531   2.574   0.934  0.00  0.00    -0.273 N 
ATOM      9  N   LIG    1        6.654   2.517  -0.090  0.00  0.00    -0.171 NA
ATOM     10  C   LIG    1        5.934   1.405   0.136  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1        6.402   0.777   1.343  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        5.926  -0.388   1.924  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.867  -0.929   1.161  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        4.346  -0.357  -0.059  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        4.879   0.844  -0.602  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        7.421   1.548   1.829  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  O   LIG    1       -0.118  -0.182  -1.892  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.147  -0.610  -2.789  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.342  -1.255  -2.068  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.076  -2.635  -1.771  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.664  -2.843  -1.016  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.722  -0.526  -0.759  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.835  -1.209  -0.053  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.973  -0.698   1.328  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.998   0.397   1.499  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.239   0.233   0.861  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.260   1.164   1.056  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.037   2.270   1.875  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.802   2.441   2.505  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.390  -0.980  -0.017  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.785   1.503   2.325  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.096  -1.152  -0.833  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7