REMARK  Name = BDB015101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.713   0.646  -1.006  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.372   0.216  -0.977  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.327   1.092  -1.284  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.621   2.412  -1.631  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.940   2.858  -1.664  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.978   1.980  -1.353  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.777  -0.862   0.650  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        5.732   0.020   0.336  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.809  -0.282  -0.681  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        4.961  -1.492  -1.379  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.998  -2.375  -1.073  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.903  -2.062  -0.061  0.00  0.00    +0.015 A 
BRANCH   7  13
ATOM     13  C   LIG    1        7.769  -0.576   1.722  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1        8.670  -1.341   2.028  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1        8.443   0.976   3.332  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1        7.528   0.632   2.291  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  O   LIG    1       -0.005   0.786  -1.288  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.377  -0.520  -0.831  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.911  -0.629  -0.858  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.345  -0.494  -2.220  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.938   0.328  -2.554  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.569   0.458   0.029  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.990   0.299   0.390  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.885   0.251  -0.778  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.346   0.118  -0.391  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.713  -0.414   0.859  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.068  -0.564   1.180  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -9.053  -0.214   0.258  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.693   0.294  -0.989  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.649  -0.757   1.873  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.346   0.456  -1.314  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.245  -0.857   1.257  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9