REMARK  Name = BDB053289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.903  -1.151  -1.851  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.504  -0.583   0.875  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -2.486  -0.383  -0.064  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.004  -1.441  -0.860  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.536  -2.730  -0.690  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -3.549  -2.932   0.253  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.028  -1.869   1.026  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -1.996  -3.714  -1.474  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1       -2.563  -5.015  -1.376  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   2  10
ATOM     10  C   LIG    1       -4.011   0.561   1.723  0.00  0.00    +0.049 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.652   1.706   0.915  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.035   0.708   0.923  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.899   1.306   0.105  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.982   2.858   1.848  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -5.204   2.746   3.044  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.029   4.056   1.219  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.826   4.015   0.265  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1        0.374  -1.041  -1.180  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        0.802  -1.903  -0.877  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.945   0.175  -0.886  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        0.481   1.251  -1.249  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.204   0.137  -0.096  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        3.150   1.146  -0.308  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        4.347   1.139   0.408  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        4.585   0.154   1.371  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.635  -0.842   1.598  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        2.445  -0.853   0.867  0.00  0.00    +0.013 A 
BRANCH  24  28
ATOM     28  O   LIG    1        5.221   2.175   0.170  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.555   1.859   0.047  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        7.462   2.637   0.766  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        8.831   2.387   0.658  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        9.289   1.371  -0.182  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.382   0.609  -0.920  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.013   0.857  -0.813  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 11