REMARK  Name = BDB012393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.823   1.019  -1.533  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.951   1.245  -0.742  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.050   2.561  -0.374  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.972   3.136  -0.902  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.180   2.237  -1.626  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.943   0.298  -0.315  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.842  -1.001  -0.704  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.783  -1.871  -0.278  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.850  -1.510   0.517  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.956  -0.173   0.892  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.986   0.747   0.492  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.093   0.221   1.753  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.552  -0.514   2.610  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.596   1.438   1.466  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.243   1.865   0.663  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.548  -0.198  -2.023  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.699  -0.373  -2.704  0.00  0.00    +0.267 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -3.992  -0.994   0.064  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -4.194  -0.267  -1.115  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.143  -0.054  -2.016  0.00  0.00    +0.048 A 
ATOM     21 CL   LIG    1       -3.501   0.838  -3.453  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -1.859  -0.551  -1.748  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -1.669  -1.292  -0.567  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -2.718  -1.503   0.331  0.00  0.00    +0.004 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.203  -0.078   2.059  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.121  -1.204   1.039  0.00  0.00    +0.032 C 
ENDBRANCH  18  26
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7