REMARK  Name = BDB057344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.596   1.348  -0.859  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -3.453   0.816  -0.146  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1       -2.336   0.261  -0.748  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.446  -0.079   0.275  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.199  -0.659  -0.063  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        0.122  -0.893  -1.402  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -0.786  -0.541  -2.399  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.070   0.269   1.506  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1       -2.024   0.036  -2.097  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.316   0.795   1.226  0.00  0.00    +0.115 A 
ENDROOT
BRANCH  10  11
ATOM     11  N   LIG    1       -4.288   1.247   2.051  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -5.248   1.377   1.744  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -4.225   1.090   3.057  0.00  0.00    +0.144 HD
ENDBRANCH  10  11
BRANCH   8  14
ATOM     14  C   LIG    1       -1.521   0.087   2.812  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -1.080  -0.075   3.874  0.00  0.00    -0.191 NA
ENDBRANCH   8  14
BRANCH   6  16
ATOM     16  O   LIG    1        1.289  -1.437  -1.867  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.196  -2.017  -0.924  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.129  -1.009  -0.293  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.559  -1.184   1.031  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.439  -0.272   1.617  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.908   0.816   0.884  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.501   0.992  -0.437  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.620   0.082  -1.024  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 5