REMARK  Name = BDB003842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.268  -0.560  -1.156  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.965  -0.729   0.086  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.255  -0.823  -0.757  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -3.530  -0.143  -0.205  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -3.626   0.972   0.293  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -4.568  -1.024  -0.336  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -4.181  -2.253  -0.818  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -4.901  -3.227  -0.981  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.706  -2.228  -1.140  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -1.438  -0.060  -1.819  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.916  -0.786   0.174  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -5.872  -0.813   1.705  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.112  -1.536   2.348  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.772   0.000   2.340  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.793  -0.095   3.347  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.031   1.282   1.936  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.469   2.111   2.729  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.651   1.644   0.522  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.625   0.440  -0.405  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  22
ATOM     20  C   LIG    1        3.293   0.254  -0.585  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1        2.013  -0.270  -0.385  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        1.024  -0.030  -1.330  0.00  0.00    +0.122 A 
ATOM     23  N   LIG    1        1.279   0.687  -2.447  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        2.521   1.184  -2.624  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1        3.556   1.000  -1.730  0.00  0.00    +0.035 A 
BRANCH  20  26
ATOM     26  C   LIG    1        4.326  -0.018   0.447  0.00  0.00    +0.340 C 
ATOM     27  O   LIG    1        4.102  -0.663   1.457  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.502   0.548   0.089  0.00  0.00    -0.455 OA
BRANCH  28  30
ATOM     29  C   LIG    1        7.102  -1.040   1.082  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.673   0.424   0.938  0.00  0.00    +0.106 C 
ATOM     31  C   LIG    1        6.447   1.092   2.299  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.777   1.189   0.193  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 5