REMARK  Name = BDB045575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.152   0.320   0.227  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.844  -0.168   0.104  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.539  -1.460  -0.286  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.180  -1.648  -0.326  0.00  0.00    -0.228 NA
ATOM      5  C   LIG    1        0.368  -0.501   0.044  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1       -2.580  -2.354  -0.571  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.902  -1.908  -0.442  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.620   0.417   0.312  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1       -0.498   1.371   0.625  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -4.184  -0.594  -0.046  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.807  -0.232   0.155  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.317   1.004   0.575  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.701   1.214   0.663  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        4.603   0.215   0.298  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.100  -1.035  -0.060  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        2.720  -1.250  -0.152  0.00  0.00    +0.013 A 
BRANCH  14  17
ATOM     17  N   LIG    1        5.976   0.393   0.502  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        6.556  -0.227  -0.056  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        6.278   1.360   0.444  0.00  0.00    +0.142 HD
ENDBRANCH  14  17
ENDBRANCH   5  11
BRANCH   1  23
ATOM     20  N   LIG    1       -4.621   2.251   0.545  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.712   3.240   0.739  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.366   1.812   0.026  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.363   1.729   0.643  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.427   2.419   1.035  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 3