REMARK  Name = BDB014042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.394   0.023   0.303  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.224  -1.002   1.194  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -0.862  -1.251   1.236  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -0.438  -2.253   2.119  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1       -1.366  -2.919   2.837  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -2.662  -2.587   2.684  0.00  0.00    +0.225 A 
ATOM      7  C   LIG    1       -0.295  -0.332   0.303  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -3.182  -1.636   1.892  0.00  0.00    -0.216 NA
ATOM      9  N   LIG    1       -1.236   0.462  -0.237  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.104  -0.175  -0.090  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.678   1.112  -0.094  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.019   1.242  -0.474  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        3.727   0.109  -0.841  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        4.994   0.498  -1.164  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        4.978   1.846  -0.963  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.206  -1.177  -0.867  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        3.832   2.344  -0.561  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        1.863  -1.294  -0.482  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        6.116   2.494  -1.219  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        6.755   2.033  -1.856  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        6.013   3.486  -1.392  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   1  23
ATOM     22  C   LIG    1       -3.948   0.460  -1.562  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -3.659   0.642  -0.073  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.697   2.118   0.325  0.00  0.00    +0.032 C 
ENDBRANCH   1  23
BRANCH   4  25
ATOM     25  N   LIG    1        0.885  -2.609   2.340  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        1.548  -1.849   2.257  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        0.959  -3.157   3.191  0.00  0.00    +0.144 HD
ENDBRANCH   4  25
TORSDOF 4