REMARK  Name = BDB002646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.338   1.066  -0.896  0.00  0.00    +0.248 A 
ATOM      2  N   LIG    1        2.525   1.050  -1.593  0.00  0.00    -0.321 N 
ATOM      3  H   LIG    1        2.625   1.373  -2.542  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.508   0.530  -0.794  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        2.856   0.250   0.399  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        3.579  -0.305   1.464  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        4.947  -0.559   1.287  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        5.572  -0.266   0.073  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1        7.255  -0.592  -0.110  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        4.868   0.289  -1.003  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1        1.529   0.589   0.320  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1       -0.930   1.394  -1.142  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        0.247   1.562  -1.532  0.00  0.00    -0.115 NA
BRANCH  12  14
ATOM     14  C   LIG    1       -1.245   0.557   0.027  0.00  0.00    +0.240 C 
BRANCH  14  18
ATOM     15  C   LIG    1       -5.383  -1.941   0.135  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -4.604  -0.690   0.203  0.00  0.00    +0.102 A 
ATOM     17  O   LIG    1       -3.255  -0.812   0.060  0.00  0.00    -0.463 OA
ATOM     18  C   LIG    1       -2.726   0.442   0.149  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1       -3.733   1.363   0.352  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -4.944   0.633   0.385  0.00  0.00    +0.045 A 
ENDBRANCH  14  18
ENDBRANCH  12  14
ENDBRANCH   1  13
TORSDOF 3