REMARK  Name = BDB031541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.160   0.629  -0.117  0.00  0.00    -0.286 NA
ATOM      2  C   LIG    1        1.272   1.001  -0.199  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.498   2.153  -1.161  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        1.548  -0.438  -0.745  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        0.218  -0.794  -0.024  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.858   1.179   1.056  0.00  0.00    +0.086 C 
ATOM      7  C   LIG    1       -0.352   0.823   2.467  0.00  0.00    +0.029 C 
BRANCH   6  17
ATOM      8  C   LIG    1       -7.107  -0.731   0.736  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -6.309  -1.851   1.336  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -6.831  -2.906   1.683  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -4.961  -1.648   1.486  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -4.440  -2.415   1.889  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -4.320  -0.459   1.121  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -5.058   0.587   0.574  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -4.521   1.763   0.190  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -3.183   1.892   0.362  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -2.352   0.915   0.920  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -2.950  -0.296   1.294  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -6.495   0.418   0.394  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1       -8.921  -1.812  -0.626  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -8.587  -0.945   0.580  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  22
ATOM     22  O   LIG    1        2.715  -1.129  -0.239  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.947  -0.718  -0.669  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        5.016  -0.914   0.199  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1        6.298  -0.573  -0.074  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1        6.518  -0.014  -1.298  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        5.518   0.203  -2.239  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        4.210  -0.162  -1.917  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.934   0.365  -1.612  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1        8.825   0.121  -0.589  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        8.451  -0.373   0.218  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       10.243   0.294  -0.744  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1        8.243   0.842  -2.698  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6