REMARK  Name = BDB056426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.466   0.437   0.929  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        2.268   0.459   0.267  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        1.990  -0.137  -0.497  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.489   1.442   0.817  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.286   1.976   1.817  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        1.890   2.989   2.615  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.638   3.432   2.347  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1       -0.221   2.946   1.356  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1       -1.765   3.708   1.213  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        0.196   1.886   0.525  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1        3.501   1.352   1.876  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        6.415   0.188   2.363  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1        5.891  -0.623   1.236  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        4.628  -0.533   0.606  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        4.637  -1.498  -0.373  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        5.861  -2.096  -0.284  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        6.362  -3.175  -1.100  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        6.643  -1.587   0.683  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH  10  19
ATOM     19  N   LIG    1       -0.500   1.255  -0.509  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -1.696   0.514  -0.051  0.00  0.00    +0.110 C 
ATOM     21  C   LIG    1       -2.153  -0.416  -1.189  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -2.428   0.404  -2.462  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1       -1.212   1.252  -2.841  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -0.761   2.125  -1.668  0.00  0.00    +0.105 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -3.328  -1.318  -0.779  0.00  0.00    +0.113 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.559  -0.545  -0.479  0.00  0.00    -0.184 NA
ATOM     27  C   LIG    1       -5.604  -0.624  -1.520  0.00  0.00    +0.131 C 
BRANCH  26  28
ATOM     28  S   LIG    1       -5.104  -0.515   1.131  0.00  0.00    +0.029 S 
ATOM     29  O   LIG    1       -6.214   0.409   1.209  0.00  0.00    -0.158 OA
ATOM     30  O   LIG    1       -3.943  -0.372   1.983  0.00  0.00    -0.158 OA
ATOM     31  C   LIG    1       -5.748  -2.163   1.356  0.00  0.00    +0.215 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  10  19
TORSDOF 5