REMARK  Name = BDB057584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.298   1.106   1.265  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.969   0.830   1.743  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.601   2.113   1.782  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.955   2.482   2.269  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.803   3.086   1.318  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.338   2.444   1.016  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.131   2.957   0.649  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.419  -0.503   2.111  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.784  -0.672   2.207  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -3.373   0.021   1.769  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.632  -1.434   2.277  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.368  -1.989   2.388  0.00  0.00    +0.109 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.450  -2.789   1.082  0.00  0.00    +0.054 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.362  -2.139   0.068  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -3.833  -1.310  -0.933  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -4.666  -0.671  -1.856  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -6.045  -0.866  -1.781  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1       -6.582  -1.692  -0.789  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -5.747  -2.324   0.132  0.00  0.00    +0.004 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -4.012   0.110  -2.768  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -4.813   0.795  -3.722  0.00  0.00    +0.277 C 
ENDBRANCH  16  20
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  22
ATOM     22  N   LIG    1        1.373   0.319   1.038  0.00  0.00    -0.221 N 
ATOM     23  H   LIG    1        1.292  -0.668   1.313  0.00  0.00    +0.176 HD
BRANCH  22  25
ATOM     24  C   LIG    1        3.492  -0.072   0.448  0.00  0.00    +0.138 C 
ATOM     25  N   LIG    1        2.551   0.810   0.572  0.00  0.00    -0.189 NA
BRANCH  24  29
ATOM     26  C   LIG    1        7.409   0.898  -0.971  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        7.088  -0.413  -0.613  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        5.804  -0.722  -0.149  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.838   0.282  -0.043  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1        5.152   1.594  -0.400  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        6.435   1.896  -0.861  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.647   0.358  -1.565  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.619   1.332  -1.436  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  24  29
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9