REMARK  Name = BDB053462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.196  -0.667   0.033  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1       -2.916  -0.161   0.084  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.075  -1.206  -0.211  0.00  0.00    +0.179 A 
ATOM      4  C   LIG    1       -0.631  -1.003  -0.241  0.00  0.00    +0.167 A 
ATOM      5  N   LIG    1       -0.160   0.197   0.017  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.041   1.220   0.309  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1       -2.709  -2.335  -0.446  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.376   1.082   0.350  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -4.033  -2.003  -0.295  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.910   2.650   1.031  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -7.162   1.460   0.705  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -7.819   0.312   0.466  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -6.841  -0.559   0.204  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -5.559   0.029   0.274  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -5.803   1.341   0.602  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.177  -2.085  -0.542  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1       -0.361  -2.931  -0.717  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.526  -2.180  -0.631  0.00  0.00    +0.091 A 
ATOM     19  S   LIG    1        2.303  -3.659  -1.036  0.00  0.00    +0.027 S 
ATOM     20  N   LIG    1        3.852  -3.085  -0.972  0.00  0.00    -0.213 NA
ATOM     21  C   LIG    1        3.824  -1.792  -0.647  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        2.517  -1.237  -0.444  0.00  0.00    +0.056 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.138  -1.056  -0.535  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        5.386  -0.541   0.893  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        6.397   0.598   0.883  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        5.925   1.761   0.131  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        6.729   2.295  -0.201  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.033   1.443  -0.983  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        5.278   0.063  -1.585  0.00  0.00    +0.025 C 
ENDBRANCH  21  23
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4