REMARK  Name = BDB022156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.549  -1.636  -0.010  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.784  -0.717  -0.717  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.122   0.056  -1.941  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1       -0.458  -0.662  -0.078  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1       -0.514  -1.556   0.957  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1        0.675  -2.151   0.961  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.589   0.188  -0.378  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1       -2.705   0.041   0.365  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1       -3.761   0.835   0.083  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1       -3.723   1.822  -0.888  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1       -4.844   2.757  -1.204  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -2.540   1.885  -1.596  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -1.473   1.097  -1.368  0.00  0.00    -0.219 NA
BRANCH   9  14
ATOM     14  C   LIG    1       -4.914   0.556   0.946  0.00  0.00    +0.038 A 
ATOM     15  S   LIG    1       -6.441   0.149   0.276  0.00  0.00    -0.095 S 
ATOM     16  C   LIG    1       -7.147  -0.042   1.821  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.238   0.164   2.833  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -4.947   0.493   2.328  0.00  0.00    +0.017 A 
ENDBRANCH   9  14
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  N   LIG    1        3.932  -1.105  -0.235  0.00  0.00    -0.298 N 
ATOM     20  C   LIG    1        2.911  -2.071  -0.262  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1        3.138  -3.258  -0.483  0.00  0.00    -0.270 OA
BRANCH  19  23
ATOM     22  C   LIG    1        5.993  -2.174   0.665  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        5.283  -1.578  -0.542  0.00  0.00    +0.104 C 
ENDBRANCH  19  23
BRANCH  19  24
ATOM     24  C   LIG    1        3.803   0.184   0.462  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        4.240   1.372  -0.382  0.00  0.00    +0.024 C 
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5