REMARK  Name = BDB012407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.849   0.142   1.083  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.196  -0.242   2.250  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -1.054   0.323   2.192  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.095   1.030   0.969  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        0.067   0.942   0.306  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.994  -0.131  -0.847  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.694   0.243  -0.501  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.178  -0.222   0.702  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.886  -1.024   1.555  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.140  -1.365   1.185  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.733  -0.949   0.008  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        3.978   1.087  -2.921  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        4.549   0.363  -2.128  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.799  -0.077  -2.354  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.032   0.319  -3.221  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.737  -1.012   3.197  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        1.647  -1.248   2.904  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1       -2.226   1.833   0.415  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.180   0.844  -0.213  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -2.918   0.311  -1.486  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.799  -0.606  -2.059  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -3.465  -1.254  -3.618  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.948  -1.002  -1.379  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.218  -0.480  -0.114  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.340   0.438   0.466  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6