REMARK  Name = BDB031537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.419   2.450  -0.653  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1       -0.534   1.757   0.420  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.278   0.268   0.275  0.00  0.00    +0.028 C 
ATOM      4  N   LIG    1        0.575   2.705   0.106  0.00  0.00    -0.288 NA
ATOM      5  C   LIG    1       -0.428   3.627  -0.491  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1       -2.793   2.746  -0.302  0.00  0.00    -0.484 OA
BRANCH   6  10
ATOM      7  C   LIG    1       -5.349  -0.430   0.108  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.616  -0.363  -1.042  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1       -3.783   0.698  -1.157  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1       -3.630   1.672  -0.178  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1       -4.403   1.585   0.974  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -5.277   0.512   1.129  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -7.012  -3.680  -0.871  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -6.287  -2.439  -0.856  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -5.614  -2.226  -1.588  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -6.273  -1.604   0.241  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -6.938  -1.785   1.254  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1        1.526   2.270  -0.928  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.659   1.436  -0.380  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1        3.117   0.300  -1.060  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.185  -0.418  -0.534  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        4.775   0.024   0.648  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        5.896  -0.729   1.200  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.359  -1.830   0.583  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        5.723  -2.302  -0.689  0.00  0.00    +0.252 A 
ATOM     26  O   LIG    1        6.120  -3.302  -1.279  0.00  0.00    -0.268 OA
ATOM     27  C   LIG    1        7.502  -2.644   1.098  0.00  0.00    +0.049 C 
ATOM     28  N   LIG    1        4.373   1.120   1.322  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1        4.672  -1.565  -1.172  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1        4.256  -1.898  -2.030  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        3.328   1.799   0.791  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5