REMARK  Name = BDB004748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.022  -0.911   1.803  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.775  -0.609   1.270  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.598  -0.319  -0.105  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.705  -0.312  -0.972  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        2.546  -0.012  -2.281  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.313   0.281  -2.711  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.206   0.286  -1.974  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.963  -0.623  -0.417  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.343  -0.018  -0.675  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.116  -0.922   0.954  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.225  -0.662  -1.223  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.304  -0.945  -0.712  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.159  -0.374  -2.553  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.276  -0.122  -2.988  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.007  -0.382  -3.101  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1        4.295  -1.464   3.734  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.033  -1.173   3.142  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1       -0.800  -0.010   0.147  0.00  0.00    -0.320 N 
ATOM     19  H   LIG    1       -0.883  -0.919   0.609  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.092   0.285  -0.497  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.325   1.786  -0.607  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -2.031   2.655   0.458  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.268   4.027   0.346  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.805   4.542  -0.831  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -3.099   6.231  -0.969  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -3.104   3.697  -1.897  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.866   2.325  -1.786  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     28  C   LIG    1       -3.223  -0.378   0.358  0.00  0.00    +0.110 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.958  -1.804   0.700  0.00  0.00    -0.306 NA
ATOM     30  C   LIG    1       -3.040  -2.662  -0.486  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -3.926  -2.259   1.703  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  20  28
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 7