REMARK  Name = BDB012415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.969  -0.373   0.563  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.583   0.494   1.592  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -0.709   0.153   1.925  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.063  -0.896   1.054  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.054  -1.220   0.241  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.480   0.207  -0.554  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.300   0.340   0.185  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.219  -0.465  -0.149  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.302  -1.375  -1.163  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.463  -1.499  -1.837  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.578  -0.736  -1.572  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.803   0.586  -0.270  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.670   1.030  -0.250  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.375   2.322   0.004  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.452   2.583  -0.179  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        1.360   1.449   2.099  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        0.854   1.895   2.804  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1       -2.358  -1.637   0.975  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.311  -0.737   0.224  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -3.220  -0.604  -1.172  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -4.099   0.233  -1.861  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1       -3.967   0.387  -3.570  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -5.080   0.947  -1.180  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -5.176   0.819   0.203  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1       -6.381   1.699   1.060  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -4.303  -0.015   0.906  0.00  0.00    +0.024 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6