REMARK  Name = BDB002546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.766   3.586   1.603  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        2.747   2.157   1.117  0.00  0.00    +0.045 A 
ATOM      3  N   LIG    1        3.880   1.620   0.775  0.00  0.00    -0.216 NA
ATOM      4  C   LIG    1        3.832   0.327   0.345  0.00  0.00    +0.255 A 
ATOM      5  N   LIG    1        2.628  -0.379   0.265  0.00  0.00    -0.182 N 
ATOM      6  N   LIG    1        2.864  -1.646  -0.179  0.00  0.00    -0.147 NA
ATOM      7  C   LIG    1        4.189  -1.633  -0.352  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1        4.934  -2.812  -0.840  0.00  0.00    +0.090 C 
ATOM      9  C   LIG    1        1.393   0.207   0.617  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        4.813  -0.458  -0.044  0.00  0.00    -0.194 NA
ATOM     11  C   LIG    1        1.417   1.473   1.073  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        0.275  -0.613   0.522  0.00  0.00    -0.299 N 
ATOM     13  H   LIG    1        0.518  -1.575   0.267  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.052  -0.287   0.179  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -2.057  -1.224   0.465  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -3.413  -0.971   0.190  0.00  0.00    -0.046 A 
ATOM     17  C   LIG    1       -4.439  -2.018   0.524  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.779   0.260  -0.382  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -5.212   0.586  -0.701  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -2.779   1.199  -0.668  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.436   0.930  -0.387  0.00  0.00    +0.023 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
TORSDOF 2