REMARK  Name = BDB018894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.734  -1.251   0.075  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.400  -0.957   0.298  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.471  -0.097  -0.325  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.751  -0.144   0.368  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        1.862   0.600  -0.036  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.730   1.404  -1.173  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.520   1.449  -1.875  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.655  -1.041   1.565  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.583   0.695  -1.456  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.688  -1.722   1.334  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -3.268  -2.174   0.706  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.129   0.559   0.690  0.00  0.00    +0.102 A 
ATOM     13  C   LIG    1        4.435   0.345   0.153  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.283   0.421   1.246  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1        6.623   0.288   1.264  0.00  0.00    -0.236 NA
ATOM     16  C   LIG    1        7.137   0.046   0.035  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        6.407  -0.062  -1.143  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        4.483   0.658   2.321  0.00  0.00    -0.260 N 
ATOM     19  H   LIG    1        4.781   0.770   3.282  0.00  0.00    +0.191 HD
ATOM     20  C   LIG    1        5.019   0.088  -1.099  0.00  0.00    +0.015 A 
ATOM     21  N   LIG    1        3.172   0.739   2.023  0.00  0.00    -0.171 NA
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  N   LIG    1       -4.940  -0.966  -1.148  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -3.568  -0.401  -0.886  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1       -3.847   0.979  -0.276  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -5.219   1.350  -0.805  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.964   0.028  -0.770  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -5.408  -3.194  -2.166  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -5.187  -2.172  -1.670  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 3