REMARK  Name = BDB012346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745   1.113  -1.387  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.961   1.240  -0.708  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.101   2.491  -0.168  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.974   3.123  -0.486  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.102   2.326  -1.236  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.989   0.252  -0.538  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.818  -0.989  -1.070  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.799  -1.899  -0.895  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.965  -1.641  -0.205  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.132  -0.369   0.339  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.136   0.596   0.175  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.383  -0.090   1.081  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.289  -0.882   1.264  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.439   1.164   1.558  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.303   1.211   2.018  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.408  -0.027  -2.004  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.874  -0.094  -2.629  0.00  0.00    +0.266 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -4.112  -0.887   0.157  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1       -4.286   0.000  -0.916  0.00  0.00    +0.044 A 
ATOM     20 CL   LIG    1       -5.783   0.820  -1.192  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.240   0.255  -1.811  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -1.991  -0.358  -1.645  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -1.817  -1.250  -0.580  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -2.860  -1.505   0.313  0.00  0.00    +0.005 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.213  -0.175   2.302  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.197  -1.185   1.164  0.00  0.00    +0.033 C 
ENDBRANCH  18  26
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7