REMARK  Name = BDB041277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.829   2.816   0.747  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.460   4.198   0.975  0.00  0.00    +0.031 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -5.368  -1.579  -0.967  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -4.889  -1.874   0.422  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -5.325  -2.819   1.073  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -3.934  -1.041   0.943  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -3.632  -1.261   1.882  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -3.389   0.045   0.248  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.829   0.310  -1.046  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -3.264   1.395  -1.695  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -2.322   2.196  -1.143  0.00  0.00    -0.258 NA
ATOM     12  C   LIG    1       -1.902   1.914   0.118  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -2.420   0.844   0.847  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -4.845  -0.546  -1.651  0.00  0.00    +0.020 A 
BRANCH   3  16
ATOM     15  C   LIG    1       -7.803  -2.203  -1.018  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.406  -2.502  -1.546  0.00  0.00    +0.037 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.384   2.957  -0.098  0.00  0.00    -0.287 NA
ATOM     18  C   LIG    1        1.541   3.461   0.677  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        2.058   2.017   0.860  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        1.091   1.671  -0.292  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        3.474   1.835   0.631  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.982   0.565   0.601  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.303   0.435   0.188  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        5.970  -0.742   0.102  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        5.286  -1.859   0.449  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        3.961  -1.822   0.880  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        3.303  -0.592   0.958  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.976  -3.194   0.379  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        7.268  -3.334  -0.076  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        7.592  -4.293  -0.063  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        8.170  -2.319  -0.564  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        5.375  -4.210   0.736  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6