REMARK  Name = BDB049284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199   0.953   0.655  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.837   2.144   0.197  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1       -2.220   2.235   0.300  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -2.505   3.492  -0.176  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1       -1.411   4.099  -0.573  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.079   1.218   0.812  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -2.449   0.097   1.257  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -0.360   3.251  -0.337  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.991  -0.021   1.153  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.044   0.239   0.406  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        3.366   0.059   1.618  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        1.990   0.292   1.704  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        1.261   0.706   0.579  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        1.944   0.901  -0.628  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.319   0.667  -0.715  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        5.538   0.005   0.310  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.486  -2.353  -0.269  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        5.908  -1.014  -0.687  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        7.355  -0.995  -0.908  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -4.457   1.504   0.800  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -4.709   2.199   0.100  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -5.588   0.591   0.984  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.858  -0.386  -0.128  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -6.515  -1.600  -0.052  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1       -7.198  -2.281   1.362  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -6.591  -2.262  -1.310  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.011  -1.526  -2.318  0.00  0.00    +0.047 A 
ATOM     28  S   LIG    1       -5.392  -0.041  -1.747  0.00  0.00    -0.099 S 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  29
ATOM     29  C   LIG    1       -3.114  -1.020   1.843  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -3.617  -1.945   2.332  0.00  0.00    -0.191 NA
ENDBRANCH   7  29
TORSDOF 7