REMARK  Name = BDB032468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037   0.245  -0.022  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.091  -0.653  -1.023  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.109  -0.587  -1.947  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        0.919   0.342  -1.919  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.965   1.266  -0.872  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.053   1.218   0.088  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.021   0.276   0.944  0.00  0.00    -0.473 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -2.868  -1.374   2.412  0.00  0.00    +0.052 C 
ATOM      9  C   LIG    1       -2.914  -0.850   0.974  0.00  0.00    +0.175 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.337  -0.382   0.583  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -4.387   0.267  -0.807  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -5.798   0.784  -1.122  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1       -6.897  -0.122  -0.758  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1       -7.734   0.433   0.302  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -6.427  -1.471  -0.443  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -5.369  -1.525   0.665  0.00  0.00    +0.022 C 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   5  17
ATOM     17  C   LIG    1        2.025   2.338  -0.783  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.280   1.957  -1.426  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        3.688   2.729  -1.946  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.256   1.234  -0.732  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.553   1.182  -1.269  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        6.584   0.426  -0.676  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1        6.317  -0.327   0.482  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        7.386  -1.058   1.043  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1        8.627  -1.088   0.520  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        8.841  -0.365  -0.597  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        5.003  -0.317   0.992  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.871   0.399  -1.221  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        3.992   0.441   0.386  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1        7.226  -1.826   2.202  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        8.144  -2.213   2.411  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        6.883  -1.253   2.964  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 7