REMARK  Name = BDB034864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.415   1.585   1.257  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.693   1.758   0.616  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.712   0.868   0.304  0.00  0.00    -0.280 N 
ATOM      4  C   LIG    1       -3.126   1.231   0.400  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.426   2.546  -0.305  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.606   3.678   0.281  0.00  0.00    +0.078 C 
ATOM      7  S   LIG    1       -0.853   3.402  -0.027  0.00  0.00    -0.092 S 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.434  -0.407  -0.250  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -1.972  -1.621   0.233  0.00  0.00    +0.062 A 
ATOM     10 CL   LIG    1       -2.997  -1.701   1.627  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -1.633  -2.844  -0.361  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -0.750  -2.887  -1.438  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.199  -1.707  -1.923  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -0.538  -0.485  -1.337  0.00  0.00    +0.025 A 
ENDBRANCH   3   8
BRANCH   1  16
ATOM     15  O   LIG    1       -0.086   0.017   2.839  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.595   0.387   1.887  0.00  0.00    +0.270 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.688  -0.492   1.398  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        2.649  -0.086   0.449  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.582  -1.046   0.062  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.425  -0.485  -0.856  0.00  0.00    -0.346 N 
ATOM     21  H   LIG    1        5.194  -0.980  -1.283  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        4.068   0.818  -1.080  0.00  0.00    +0.085 A 
ATOM     23  N   LIG    1        3.681  -2.319   0.486  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1        2.746  -2.650   1.401  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        2.977   1.094  -0.283  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        1.758  -1.808   1.881  0.00  0.00    +0.033 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3