REMARK  Name = BDB031293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.559   0.011   0.555  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.753   0.041  -0.653  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1       -3.004   0.023  -1.256  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.013  -0.208  -2.238  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1       -0.760   0.099  -1.621  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -1.058   0.382  -2.541  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.264   0.077  -0.620  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -4.428   0.354   0.744  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -5.717   0.387   1.226  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -6.826   0.164   0.415  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1       -7.965   0.269   1.204  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -8.923   0.160   0.917  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -7.575   0.560   2.520  0.00  0.00    +0.325 A 
ATOM     14  O   LIG    1       -8.313   0.719   3.476  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1       -6.705  -0.104  -0.925  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1       -6.175   0.632   2.517  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -5.617   0.824   3.333  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -5.402  -0.143  -1.441  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  19
ATOM     19  C   LIG    1        0.634   0.019  -1.424  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        1.454   0.285  -2.525  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.849   0.216  -2.410  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.459  -0.129  -1.198  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        2.630  -0.394  -0.105  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.233  -0.329  -0.215  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.861  -0.143  -1.120  0.00  0.00    -0.314 N 
ATOM     26  H   LIG    1        5.323  -0.329  -2.002  0.00  0.00    +0.152 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.746   0.046  -0.044  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        5.407   0.769   1.105  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        6.307   0.900   2.167  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        7.561   0.300   2.097  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.915  -0.429   0.966  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.012  -0.555  -0.094  0.00  0.00    +0.023 A 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   5  19
TORSDOF 4