REMARK  Name = BDB041342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.924  -0.243  -0.228  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.638   0.820  -1.096  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.370   0.933  -1.692  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1       -0.043   1.958  -2.618  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.955   2.815  -2.910  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -2.208   2.793  -2.385  0.00  0.00    -0.313 N 
ATOM      7  H   LIG    1       -2.878   3.513  -2.617  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.602  -0.038  -1.374  0.00  0.00    +0.145 A 
ATOM      9  N   LIG    1        0.343  -1.062  -0.538  0.00  0.00    -0.238 NA
ATOM     10  C   LIG    1       -2.616   1.876  -1.449  0.00  0.00    +0.260 A 
ATOM     11  O   LIG    1       -3.721   1.984  -0.935  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -0.893  -1.147   0.000  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -6.388  -2.128   1.294  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.152  -1.329   1.122  0.00  0.00    +0.061 A 
ATOM     15  N   LIG    1       -4.885  -0.316   1.951  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -3.724   0.194   1.491  0.00  0.00    -0.266 N 
ATOM     17  C   LIG    1       -3.166   1.337   2.175  0.00  0.00    +0.173 C 
ATOM     18  C   LIG    1       -3.208  -0.498   0.419  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1       -4.133  -1.492   0.160  0.00  0.00    +0.052 A 
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        1.903   0.131  -1.893  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1        1.804   0.485  -2.843  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.796  -1.017  -1.797  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.462  -1.132  -0.452  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.096  -0.069   0.190  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.298   1.334  -0.245  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        4.790   1.934   1.072  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        5.342   0.882   1.895  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.745  -0.252   1.407  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        4.802  -1.477   2.039  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        4.176  -2.555   1.417  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.523  -2.378   0.189  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        2.970  -3.455  -0.391  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4