REMARK  Name = BDB031359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.138  -0.025   0.087  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -3.192  -0.675   0.896  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.861  -0.633   0.516  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1       -0.668  -1.253   1.169  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1        0.491  -0.626   0.496  0.00  0.00    -0.290 NA
ATOM      6  C   LIG    1        0.018  -0.128  -0.815  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -1.461   0.026  -0.645  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1       -2.377   0.665  -1.461  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.725   0.642  -1.087  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.565  -0.075   0.511  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1       -5.952  -0.670   1.505  0.00  0.00    -0.245 OA
BRANCH  10  13
ATOM     12  C   LIG    1       -7.734   0.620  -0.005  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1       -6.348   0.620  -0.351  0.00  0.00    -0.464 OA
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  14
ATOM     14  C   LIG    1        1.633  -1.532   0.399  0.00  0.00    +0.120 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.882  -0.846  -0.121  0.00  0.00    -0.031 A 
ATOM     16  C   LIG    1        3.409   0.266   0.564  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.545   0.841   0.047  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        5.167   0.357  -1.101  0.00  0.00    +0.067 A 
ATOM     19  N   LIG    1        6.278   1.154  -1.354  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        6.936   1.065  -2.111  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        6.356   2.144  -0.364  0.00  0.00    +0.325 A 
ATOM     22  O   LIG    1        7.203   3.016  -0.275  0.00  0.00    -0.247 OA
ATOM     23  C   LIG    1        4.687  -0.727  -1.794  0.00  0.00    +0.028 A 
ATOM     24  N   LIG    1        5.272   1.936   0.499  0.00  0.00    -0.306 N 
ATOM     25  H   LIG    1        5.077   2.507   1.305  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        3.528  -1.333  -1.290  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 4