REMARK  Name = BDB003636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.233   1.060   1.169  0.00  0.00    +0.149 C 
ATOM      2  C   LIG    1        2.067   2.267   1.541  0.00  0.00    +0.213 C 
ATOM      3  O   LIG    1        3.052   2.184   2.270  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1        1.701   3.597   1.029  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.479   3.801   0.411  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.133   5.074  -0.067  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.022   6.140   0.077  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.251   5.939   0.701  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.461   2.689   0.278  0.00  0.00    +0.212 C 
ATOM     10  O   LIG    1       -1.578   2.870  -0.205  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1        2.591   4.671   1.178  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.021   1.322   0.722  0.00  0.00    +0.123 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -0.943   0.280   0.620  0.00  0.00    -0.302 N 
ATOM     14  C   LIG    1       -1.701   0.031  -0.459  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1       -2.473  -1.040  -0.200  0.00  0.00    -0.338 N 
ATOM     16  C   LIG    1       -2.141  -1.531   1.051  0.00  0.00    +0.105 A 
ATOM     17  C   LIG    1       -1.210  -0.684   1.582  0.00  0.00    +0.110 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.366  -1.659  -1.169  0.00  0.00    +0.123 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.600  -0.802  -1.447  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.483  -0.523  -0.216  0.00  0.00    -0.016 C 
ATOM     21  C   LIG    1       -6.073  -1.803   0.379  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -6.613   0.437  -0.597  0.00  0.00    +0.007 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  12  13
BRANCH   1  23
ATOM     23  N   LIG    1        1.966  -0.085   1.342  0.00  0.00    -0.092 NA
BRANCH  23  24
ATOM     24  S   LIG    1        1.693  -1.254   0.282  0.00  0.00    +0.092 S 
ATOM     25  O   LIG    1        0.937  -2.389   0.811  0.00  0.00    -0.148 OA
ATOM     26  O   LIG    1        1.249  -0.812  -1.044  0.00  0.00    -0.148 OA
BRANCH  24  31
ATOM     27  C   LIG    1        7.130  -3.743  -0.917  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        5.806  -3.112  -0.603  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        5.326  -2.049  -1.383  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.081  -1.479  -1.112  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1        3.313  -1.980  -0.061  0.00  0.00    +0.110 A 
ATOM     32  C   LIG    1        3.764  -3.051   0.711  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1        5.010  -3.616   0.435  0.00  0.00    +0.005 A 
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7