REMARK  Name = BDB014055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.042   0.133  -0.069  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.027  -0.144  -1.038  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.298  -0.693  -0.355  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.857   0.154   0.719  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        1.787   0.907   1.412  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.393   0.251   1.335  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.142  -0.412   2.656  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.577  -0.127   1.291  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.624  -0.018   0.261  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.284   0.018   0.571  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.390   0.095  -0.365  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -1.758   0.152  -1.677  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.074   0.263  -2.402  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.053   0.149  -2.086  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.357   0.225  -3.272  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.057   0.047  -1.015  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.501   0.031  -1.416  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.433   0.289  -0.236  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.966  -0.483   0.990  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        3.893   1.088   0.231  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.172   0.417  -0.239  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        6.095  -0.152   0.643  0.00  0.00    +0.040 A 
ATOM     23 BR   LIG    1        5.891  -0.134   2.527  0.00  0.00    -0.048 Br
ATOM     24  C   LIG    1        7.236  -0.761   0.118  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        7.431  -0.789  -1.259  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        6.472  -0.205  -2.066  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        5.357   0.392  -1.593  0.00  0.00    -0.257 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3