REMARK  Name = BDB003844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.973  -0.262   1.209  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        0.141   0.663   0.397  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.107   0.001   1.036  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1       -2.355  -0.195   0.141  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -2.406  -0.734  -0.958  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.435   0.321   0.804  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -3.130   0.781   2.065  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -3.919   1.242   2.877  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.645   0.650   2.306  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -0.164  -1.215   1.235  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.812   0.227   0.328  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -5.253  -1.239   0.384  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.878  -2.026   1.250  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.137  -1.631  -0.586  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.483  -2.577  -0.485  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.018  -1.261  -1.898  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.508  -1.950  -2.789  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.171  -0.048  -2.194  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.083   0.908  -1.015  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.086  -0.814   0.410  0.00  0.00    +0.205 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.198   0.216   0.203  0.00  0.00    +0.322 C 
ATOM     22  O   LIG    1        3.077   1.431   0.284  0.00  0.00    -0.249 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.343  -0.441  -0.146  0.00  0.00    -0.458 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.044   1.063   0.811  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        5.565   0.291  -0.423  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1        5.404   1.203  -1.644  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.601  -0.794  -0.755  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5