REMARK  Name = BDB032246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.110   0.268   0.059  0.00  0.00    -0.340 N 
ATOM      2  H   LIG    1        1.727   0.315  -0.884  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1        7.779   0.316  -0.084  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        6.363   0.273  -0.010  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        5.621   0.831  -1.076  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        4.203   0.789  -1.006  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.505   0.194   0.056  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.256  -0.312   1.111  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        6.334   1.403  -2.150  0.00  0.00    +0.067 A 
ATOM     10 CL   LIG    1        5.561   2.121  -3.519  0.00  0.00    -0.081 Cl
ATOM     11  C   LIG    1        7.719   1.390  -2.118  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1        5.655  -0.288   1.076  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1        8.447   0.861  -1.114  0.00  0.00    -0.239 NA
BRANCH   3  14
ATOM     14  N   LIG    1        8.582  -0.215   0.937  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        8.380  -1.204   1.050  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        8.383   0.262   1.809  0.00  0.00    +0.144 HD
ENDBRANCH   3  14
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        1.334  -0.609   0.928  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.134  -0.409   0.673  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1       -0.956  -1.468   0.320  0.00  0.00    +0.118 A 
ATOM     20  N   LIG    1       -2.286  -1.360   0.089  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1       -2.873  -0.151   0.215  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -2.110   0.968   0.554  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -0.742   0.838   0.792  0.00  0.00    +0.010 A 
BRANCH  21  24
ATOM     24  N   LIG    1       -4.245  -0.015  -0.044  0.00  0.00    -0.306 N 
ATOM     25  C   LIG    1       -4.857  -1.245  -0.609  0.00  0.00    +0.180 C 
ATOM     26  C   LIG    1       -6.351  -1.154  -0.761  0.00  0.00    +0.127 A 
ATOM     27  N   LIG    1       -7.051  -0.128  -0.180  0.00  0.00    -0.332 N 
ATOM     28  C   LIG    1       -8.375  -0.304  -0.442  0.00  0.00    +0.107 A 
ATOM     29  C   LIG    1       -8.429  -1.461  -1.186  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -6.428   0.955   0.553  0.00  0.00    +0.142 C 
ATOM     31  N   LIG    1       -7.173  -1.984  -1.374  0.00  0.00    -0.239 NA
ATOM     32  C   LIG    1       -5.033   0.564   1.060  0.00  0.00    +0.128 C 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5