REMARK  Name = BDB007502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.072  -1.378   0.666  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.172  -0.578  -0.002  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.523   0.173  -0.587  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.793  -2.494   1.090  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        6.088   0.102   1.173  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        5.806  -1.269   1.216  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        4.498  -1.735   1.051  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.450  -0.835   0.832  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.724   0.536   0.802  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.037   0.998   0.968  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1        9.439   1.789   1.572  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        7.947   1.772   1.347  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1        7.432   0.488   1.347  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1        8.092  -0.265   1.493  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        7.322   2.818   1.211  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1       -0.137  -1.081  -0.385  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.076   0.071  -0.750  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.492   0.833  -1.823  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.255   1.266  -2.258  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.457  -0.453  -1.195  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.305   0.629  -1.751  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.512   0.070  -2.401  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.592  -0.396  -1.448  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.675   0.119  -0.141  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.706  -0.302   0.709  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.662  -1.212   0.260  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.593  -1.710  -1.039  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.624   1.074   0.368  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.566  -1.302  -1.891  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.733   1.629  -0.754  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7