REMARK  Name = BDB047508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.367  -0.177   1.428  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.405  -1.150   0.783  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.086  -0.694   0.874  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.030  -1.403   0.318  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.305  -2.615  -0.321  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.629  -3.084  -0.387  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.021   0.608   1.607  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.687  -2.357   0.166  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.369   0.582   2.342  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.084   0.735   0.403  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.618   2.755   0.086  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.016   1.762   1.075  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.921  -0.118  -0.527  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.771  -0.933  -0.204  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.664   0.124  -1.828  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.255  -0.494  -2.307  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1       -0.390  -3.438  -0.921  0.00  0.00    -0.490 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.988  -3.059  -0.884  0.00  0.00    +0.247 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.325  -2.114  -2.042  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.735  -1.765  -2.116  0.00  0.00    -0.296 N 
ATOM     21  H   LIG    1        3.099  -1.633  -3.048  0.00  0.00    +0.150 HD
ATOM     22  C   LIG    1        3.272  -0.903  -1.176  0.00  0.00    +0.304 C 
ATOM     23  N   LIG    1        4.596  -0.651  -1.458  0.00  0.00    -0.269 N 
ATOM     24  H   LIG    1        5.019  -1.275  -2.129  0.00  0.00    +0.156 HD
ATOM     25  O   LIG    1        2.620  -0.469  -0.236  0.00  0.00    -0.253 OA
BRANCH  23  26
ATOM     26  C   LIG    1        5.465   0.233  -0.789  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        5.054   1.130   0.197  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        5.978   1.985   0.809  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        7.325   1.966   0.435  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        8.317   2.859   1.118  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        7.740   1.062  -0.547  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.816   0.208  -1.158  0.00  0.00    +0.023 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9