REMARK  Name = BDB015251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.968   1.494   2.125  0.00  0.00    -0.373 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.371   1.969   1.960  0.00  0.00    +0.195 C 
BRANCH   2   5
ATOM      3  C   LIG    1        3.083   0.048   0.067  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1        2.202   1.065   0.471  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.298   0.862   1.524  0.00  0.00    -0.022 A 
ATOM      6  C   LIG    1        1.293  -0.374   2.184  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.164  -1.390   1.792  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.055  -1.180   0.739  0.00  0.00    +0.005 A 
BRANCH   3   9
ATOM      9  C   LIG    1        4.047   0.284  -1.073  0.00  0.00    +0.116 C 
BRANCH   9  10
ATOM     10  N   LIG    1        5.021   1.314  -0.721  0.00  0.00    -0.312 NA
ATOM     11  H   LIG    1        5.522   1.026   0.118  0.00  0.00    +0.122 HD
BRANCH  10  12
ATOM     12  C   LIG    1        5.958   1.615  -1.801  0.00  0.00    +0.081 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.958   0.506  -2.152  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        8.896  -0.924  -1.409  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        7.846   0.089  -0.978  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.665   1.385   0.875  0.00  0.00    +0.192 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.034   0.736   1.127  0.00  0.00    +0.154 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.748   1.579   2.045  0.00  0.00    -0.388 OA
ATOM     19  H   LIG    1       -3.127   1.740   2.782  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.869  -0.689   1.720  0.00  0.00    +0.118 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.005  -1.629   1.738  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -5.311  -1.047   2.071  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -6.109  -0.526   0.891  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.821  -0.934  -0.424  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.603  -0.461  -1.488  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.677   0.394  -1.246  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.973   0.790   0.056  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.629  -1.815  -0.700  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -7.196   0.331   1.119  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.103  -2.500   0.564  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 12