REMARK  Name = BDB057901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.723  -0.481  -0.348  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -3.002  -0.351  -1.508  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1       -1.754  -0.733  -1.265  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1       -1.680  -1.058   0.037  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -2.894  -0.955   0.646  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -7.211   0.591  -1.095  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -5.854   0.335  -1.284  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -5.135  -0.178  -0.216  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1       -5.701  -0.427   0.995  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -7.011  -0.140   1.152  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -7.808   0.367   0.144  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -7.560   2.028  -2.947  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -7.985   1.148  -2.221  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -9.188   0.557  -2.375  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -9.325  -0.250  -1.845  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.473  -1.597   0.669  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        0.838  -1.093   0.035  0.00  0.00    +0.136 C 
ATOM     18  N   LIG    1        1.289  -0.868   1.401  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1        2.384  -0.197   1.882  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        2.422   0.259   3.022  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1       -0.064  -0.834   1.940  0.00  0.00    +0.136 C 
BRANCH  19  22
ATOM     22  C   LIG    1        3.531  -0.078   0.899  0.00  0.00    +0.100 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.750   0.585   1.534  0.00  0.00    +0.044 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.892   0.688   0.553  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        6.008   1.802  -0.288  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.051   1.886  -1.211  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.985   0.856  -1.304  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.877  -0.259  -0.475  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.834  -0.344   0.448  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  16
TORSDOF 7