REMARK  Name = BDB061172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.576  -0.244   1.068  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.100   0.974   1.637  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -0.246   1.050   1.903  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.435   2.262   2.498  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.685   2.947   2.477  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.151   0.035   1.573  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.719  -1.066   1.016  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.652   2.140   1.916  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        0.637  -1.171   0.775  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        3.602   0.202   2.950  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        3.886  -0.027   1.771  0.00  0.00    +0.225 C 
ATOM     12  N   LIG    1        2.939  -0.401   0.806  0.00  0.00    -0.262 N 
ATOM     13  C   LIG    1        3.383  -1.258  -0.291  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1        4.636  -0.742  -0.939  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        5.594  -0.113  -0.137  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1        6.793   0.333  -0.706  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        7.028   0.163  -2.070  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.075  -0.466  -2.869  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.885  -0.924  -2.305  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        5.344   0.019   1.340  0.00  0.00    +0.131 C 
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.501   0.168   1.818  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.944  -0.736   1.658  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.269   1.230   1.172  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.590   0.707   0.685  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.698  -0.133  -0.420  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.646  -0.721  -1.286  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -4.525  -1.245  -2.422  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -5.867  -1.444  -1.923  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.933  -0.619  -0.831  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.105  -0.305  -0.173  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -7.023   0.543   0.931  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.779   1.038   1.347  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -5.741   1.847   2.416  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 4