REMARK  Name = BDB031623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.869  -1.757   0.840  0.00  0.00    +0.134 C 
ATOM      2  N   LIG    1       -0.846  -0.325   0.565  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        0.184   0.278  -0.158  0.00  0.00    +0.311 C 
ATOM      4  N   LIG    1        1.456  -0.203   0.059  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1        2.552   0.122  -0.756  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        3.740  -0.141  -0.084  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        4.953   0.084  -0.711  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.925   0.562  -2.016  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.689   0.793  -2.616  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        3.490  -0.585   1.315  0.00  0.00    +0.058 C 
ATOM     11  N   LIG    1        2.498   0.578  -2.014  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        1.969  -0.782   1.310  0.00  0.00    +0.121 C 
ATOM     13  O   LIG    1       -0.071   1.237  -0.889  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -2.111   0.421   0.674  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -2.875   0.164   1.985  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -2.361  -0.281   3.010  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -4.206   0.515   1.980  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.706   0.351   2.843  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -4.983   0.845   0.898  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -6.197   0.987   1.014  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -4.263   1.062  -0.411  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -3.038   0.168  -0.520  0.00  0.00    +0.041 C 
ENDBRANCH   2  14
TORSDOF 1