REMARK  Name = BDB013846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.519  -0.106   0.281  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.336   0.845  -0.065  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.866   0.465  -0.202  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.845  -0.487   0.005  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.280  -1.813   0.070  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -3.557  -2.236  -0.105  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -4.485  -1.290  -0.328  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -4.197   0.058  -0.380  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -1.421   2.390  -0.396  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -2.535   1.912  -0.279  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -3.621   2.705  -0.206  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -3.252   3.613  -0.252  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.567  -1.016  -0.090  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.914  -0.379   0.187  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        2.998  -0.571  -0.680  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        4.249  -0.012  -0.413  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        4.429   0.738   0.747  0.00  0.00    +0.044 A 
ATOM     18 CL   LIG    1        5.969   1.428   1.086  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        3.377   0.925   1.639  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.128   0.362   1.363  0.00  0.00    +0.010 A 
BRANCH  15  21
ATOM     21  O   LIG    1        2.819  -1.328  -1.804  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        3.646  -1.343  -2.315  0.00  0.00    +0.292 HD
ENDBRANCH  15  21
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6