REMARK  Name = BDB063113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.356  -2.935   0.256  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -1.315  -1.567   0.276  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.100  -1.255   0.860  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.204   0.111   1.009  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -0.708   1.011   0.560  0.00  0.00    -0.210 NA
ATOM      6  C   LIG    1       -1.865   0.576   0.013  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1        0.605  -2.401   1.169  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1       -2.243  -0.709  -0.174  0.00  0.00    -0.208 NA
ATOM      9  C   LIG    1       -0.183  -3.389   0.801  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.796   1.607  -0.456  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -2.881   2.999  -0.045  0.00  0.00    -0.000 A 
ATOM     12  C   LIG    1       -3.893   3.676  -0.736  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.165   5.042  -0.511  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.409   5.741   0.430  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.406   5.100   1.138  0.00  0.00    +0.001 A 
ATOM     16  S   LIG    1       -4.713   2.642  -1.837  0.00  0.00    -0.096 S 
ATOM     17  C   LIG    1       -2.139   3.746   0.910  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -3.749   1.307  -1.412  0.00  0.00    +0.058 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     19  C   LIG    1       -2.009  -4.598  -1.448  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1       -2.449  -3.751  -0.254  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -3.067  -4.616   0.844  0.00  0.00    +0.030 C 
ENDBRANCH   1  20
BRANCH   4  22
ATOM     22  N   LIG    1        1.399   0.534   1.592  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1        2.058  -0.241   1.657  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        1.972   1.779   1.090  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.540   1.650  -0.332  0.00  0.00    +0.054 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.737   0.729  -0.414  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        3.578  -0.616  -0.780  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        4.678  -1.473  -0.831  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        5.942  -0.984  -0.517  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1        6.120   0.345  -0.153  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        5.019   1.202  -0.099  0.00  0.00    +0.007 A 
BRANCH  29  32
ATOM     32  O   LIG    1        7.043  -1.786  -0.553  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        6.762  -2.681  -0.804  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 7