REMARK  Name = BDB047317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.633  -0.171   0.803  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.187  -1.283   0.086  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        0.941  -1.286  -0.585  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        0.103  -0.158  -0.441  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        0.583   1.014   0.188  0.00  0.00    -0.002 A 
ATOM      6  C   LIG    1        1.840   0.977   0.822  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.951  -0.143   1.511  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1        4.298   0.883   2.094  0.00  0.00    -0.292 OA
BRANCH   7  10
ATOM      9  C   LIG    1        6.102  -1.217   2.282  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1        4.819  -1.391   1.486  0.00  0.00    +0.076 C 
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  11
ATOM     11  C   LIG    1        0.669  -2.508  -1.467  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -0.017  -3.630  -0.685  0.00  0.00    +0.012 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -0.009  -2.191  -2.814  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.104  -3.325  -3.825  0.00  0.00    +0.004 C 
ENDBRANCH  11  13
ENDBRANCH   3  11
BRANCH   5  15
ATOM     15  C   LIG    1       -0.171   2.341   0.129  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -0.400   2.931   1.526  0.00  0.00    +0.012 C 
BRANCH  15  17
ATOM     17  C   LIG    1        0.566   3.327  -0.805  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -0.227   4.596  -1.086  0.00  0.00    +0.004 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   4  19
ATOM     19  O   LIG    1       -1.167  -0.141  -0.972  0.00  0.00    -0.472 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.139  -0.760  -0.100  0.00  0.00    +0.311 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.921   0.256   0.724  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.645   1.290   0.107  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.378   2.199   0.871  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.404   2.082   2.259  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.697   1.057   2.884  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.961   0.147   2.123  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.130  -1.617  -0.906  0.00  0.00    +0.351 C 
ATOM     28  O   LIG    1       -3.633  -2.670  -0.536  0.00  0.00    -0.246 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -3.478  -1.105  -2.108  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1       -4.124  -1.749  -2.464  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 11