REMARK  Name = BDB051058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.181  -1.825  -0.593  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.659  -3.198  -0.654  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        0.531  -3.498   0.319  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        1.373  -3.825  -1.018  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        2.432  -1.734   0.336  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.119  -2.322   1.604  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        2.698  -1.895   2.267  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        3.670  -2.431  -0.265  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.871  -2.492   0.694  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        6.087  -3.135   0.028  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.758  -0.221   0.393  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        6.092  -0.543  -0.505  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        5.183  -1.115   1.264  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        4.843  -0.820   2.408  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.129   1.117   0.809  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.492   1.132   1.497  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        9.251   2.568   2.589  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        7.893   2.548   1.905  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        0.082  -0.853  -0.095  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.151  -0.742  -1.028  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1       -1.800   0.649  -0.910  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -2.553   0.853   0.404  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -3.441  -0.345   0.789  0.00  0.00    -0.011 C 
ATOM     24  C   LIG    1       -3.562  -1.366  -0.347  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -2.182  -1.866  -0.780  0.00  0.00    +0.004 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.796   0.075   1.396  0.00  0.00    +0.003 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.962   0.358   0.436  0.00  0.00    +0.001 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.749   1.566  -0.482  0.00  0.00    +0.006 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.954   1.947  -1.386  0.00  0.00    -0.038 C 
ATOM     30  C   LIG    1       -8.179   2.346  -0.547  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -6.540   3.156  -2.249  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -7.335   0.789  -2.322  0.00  0.00    +0.010 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 15