REMARK  Name = BDB021927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.050   0.874   0.571  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        1.043   1.724   0.025  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        2.197   0.113   0.452  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        3.284   0.916   0.196  0.00  0.00    -0.268 N 
ATOM      5  H   LIG    1        3.144   1.908   0.339  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        2.200  -1.103   0.582  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.620   0.526  -0.054  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        5.606   1.527  -0.142  0.00  0.00    +0.062 A 
ATOM      9 CL   LIG    1        5.201   3.199   0.061  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        6.942   1.202  -0.395  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        7.310  -0.131  -0.567  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.343  -1.131  -0.489  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.006  -0.805  -0.236  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     14  N   LIG    1       -3.120   0.100   0.214  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.200  -0.909  -0.336  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.798  -0.334  -0.535  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -0.248   0.237   0.772  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -1.242   1.233   1.366  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -2.624   0.600   1.508  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.486  -0.432   0.379  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.647  -1.093  -0.742  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.196  -0.686  -0.957  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
TORSDOF 4