REMARK  Name = BDB020516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.072   0.363  -1.384  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.235   0.080  -0.902  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.348   0.596  -1.600  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.643   0.337  -1.129  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        3.816  -0.421   0.024  0.00  0.00    +0.091 A 
ATOM      6  N   LIG    1        2.774  -0.932   0.722  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        2.150   1.363  -2.759  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.867   1.624  -3.234  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.529  -0.678   0.245  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -0.239   1.126  -2.551  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.573   0.102  -0.026  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.410   0.145   0.961  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.165  -0.251   0.332  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.288   0.649  -0.210  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.256  -0.123  -0.699  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.478  -1.452  -0.426  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.577   2.091  -0.160  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.303   2.390   1.069  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.263   3.766   1.529  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.635  -1.501   0.201  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.303   1.551   1.558  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.107   1.914   2.420  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.267  -2.823   0.720  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.918  -4.118   0.034  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.287  -3.528  -0.135  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.157  -0.709   0.549  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        6.286  -0.247  -0.025  0.00  0.00    -0.170 NA
ATOM     28  N   LIG    1        7.277  -0.727   0.746  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.646  -0.420   0.409  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1        6.843  -1.475   1.795  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1        5.473  -1.486   1.700  0.00  0.00    +0.051 A 
ENDBRANCH   5  26
TORSDOF 3