REMARK  Name = BDB049180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.337   0.225   1.520  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -3.937   0.050   1.141  0.00  0.00    -0.301 NA
ATOM      3  C   LIG    1       -3.822  -0.164  -0.311  0.00  0.00    +0.119 C 
ATOM      4  C   LIG    1       -2.390  -0.206  -0.806  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -2.120  -0.775  -2.058  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.822  -0.798  -2.556  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.222  -0.254  -1.808  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -0.014   0.316  -0.548  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -1.338   0.368  -0.060  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1       -1.645   0.946   1.306  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -3.138   1.216   1.532  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        1.032   0.896   0.217  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1        0.881   1.903   0.291  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.381   0.580   0.118  0.00  0.00    +0.075 A 
ATOM     15  C   LIG    1        3.413   1.435   0.135  0.00  0.00    +0.129 A 
ATOM     16 CL   LIG    1        3.140   3.144   0.239  0.00  0.00    -0.076 Cl
ATOM     17  C   LIG    1        4.828   0.978   0.035  0.00  0.00    +0.287 A 
ATOM     18  O   LIG    1        5.758   1.783   0.061  0.00  0.00    -0.265 OA
ATOM     19  N   LIG    1        5.007  -0.396  -0.099  0.00  0.00    -0.231 N 
ATOM     20  C   LIG    1        6.347  -0.948  -0.172  0.00  0.00    +0.176 C 
ATOM     21  N   LIG    1        3.988  -1.311  -0.019  0.00  0.00    -0.175 NA
ATOM     22  C   LIG    1        2.786  -0.849   0.089  0.00  0.00    +0.157 A 
ENDBRANCH  12  14
ENDBRANCH   8  12
TORSDOF 2