REMARK  Name = BDB012390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.154  -1.768   1.486  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.449  -0.942   2.371  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        0.184  -1.701   3.491  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.705  -2.966   3.208  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.265  -3.031   2.004  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        2.156   0.005  -1.646  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        1.679  -0.199  -0.347  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        1.685  -1.485   0.176  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.183  -2.534  -0.540  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.646  -2.308  -1.786  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        2.649  -1.067  -2.384  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        1.710   2.370  -1.618  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        2.116   1.379  -2.197  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.588   1.448  -3.454  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        2.497   2.395  -3.692  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.143   0.331   2.106  0.00  0.00    -0.468 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.260   0.613   2.031  0.00  0.00    +0.206 C 
ATOM     18  C   LIG    1       -1.757   0.383   0.628  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -1.742   1.576  -0.105  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -2.076   1.596  -1.449  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -2.447   0.393  -2.050  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -2.478  -0.804  -1.319  0.00  0.00    +0.020 A 
ATOM     23 CL   LIG    1       -2.859   0.374  -3.722  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.263   2.714   0.742  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -2.127  -0.815   0.034  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -1.456   2.136   2.154  0.00  0.00    +0.054 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5