REMARK  Name = BDB048741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.144   1.056   1.313  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.767   0.884   1.631  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.596   1.544   2.828  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1       -1.824   2.029   3.168  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -2.086   2.558   3.994  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1       -2.779   1.740   2.276  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.300  -0.293  -1.984  0.00  0.00    +0.137 A 
ATOM      8  N   LIG    1       -2.325  -0.024  -1.063  0.00  0.00    -0.329 N 
ATOM      9  H   LIG    1       -1.338  -0.194  -1.177  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -2.913   0.574   0.023  0.00  0.00    +0.160 A 
ATOM     11  N   LIG    1       -4.211   0.709  -0.182  0.00  0.00    -0.233 NA
ATOM     12  C   LIG    1       -4.462   0.168  -1.417  0.00  0.00    +0.150 A 
BRANCH   7  14
ATOM     13  N   LIG    1       -2.872  -1.423  -4.255  0.00  0.00    -0.189 NA
ATOM     14  C   LIG    1       -3.090  -0.911  -3.239  0.00  0.00    +0.119 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        0.255   0.160   0.949  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        1.512   0.601   0.774  0.00  0.00    +0.010 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.582  -0.152   0.105  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.908   0.043   0.489  0.00  0.00    +0.118 A 
ATOM     19  N   LIG    1        4.974  -0.574  -0.076  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        4.711  -1.427  -1.087  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.436  -1.686  -1.559  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.359  -1.034  -0.956  0.00  0.00    +0.011 A 
ENDBRANCH  16  17
ENDBRANCH   2  15
TORSDOF 4