REMARK  Name = BDB050183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.965  -2.340   0.436  0.00  0.00    -0.313 N 
ATOM      2  H   LIG    1       -3.629  -3.039   0.745  0.00  0.00    +0.146 HD
ATOM      3  H   LIG    1       -2.625  -2.482  -0.502  0.00  0.00    +0.146 HD
ATOM      4  C   LIG    1       -3.371  -1.083   0.742  0.00  0.00    +0.300 C 
ATOM      5  N   LIG    1       -2.597  -0.064   0.234  0.00  0.00    -0.286 N 
ATOM      6  C   LIG    1       -1.290  -0.268  -0.401  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1       -0.407   0.988  -0.370  0.00  0.00    +0.011 C 
ATOM      8  C   LIG    1       -1.142   2.191  -0.989  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -2.641   2.215  -0.686  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -3.018   1.311   0.479  0.00  0.00    +0.109 C 
ATOM     11  O   LIG    1       -4.374  -0.926   1.428  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        0.941   0.775  -1.085  0.00  0.00    +0.044 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.828  -0.240  -0.418  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1        2.490  -0.006   0.794  0.00  0.00    +0.138 A 
ATOM     15  C   LIG    1        3.309  -0.926   1.439  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.762  -0.283   2.621  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.199   0.972   2.621  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        3.503  -2.186   0.848  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        2.866  -2.462  -0.368  0.00  0.00    +0.001 A 
ATOM     20  O   LIG    1        2.428   1.149   1.517  0.00  0.00    -0.463 OA
ATOM     21  C   LIG    1        2.049  -1.510  -0.986  0.00  0.00    +0.007 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
TORSDOF 2