REMARK  Name = BDB002014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.804   0.238   0.629  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.079   1.304   1.168  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.132   1.702   0.591  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.620   1.027  -0.529  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -0.902  -0.032  -1.086  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.307  -0.421  -0.504  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.250   1.008   3.110  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1        2.699   0.228   2.275  0.00  0.00    +0.235 C 
ATOM      9  N   LIG    1        2.034  -0.216   1.142  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        2.466  -0.989   0.634  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.058  -0.449   2.489  0.00  0.00    +0.212 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.918  -0.281   1.330  0.00  0.00    -0.233 N 
ATOM     13  C   LIG    1        4.858  -1.061   0.211  0.00  0.00    +0.226 C 
ATOM     14  O   LIG    1        4.007  -1.909  -0.012  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.035  -0.701  -0.659  0.00  0.00    +0.091 C 
ATOM     16  C   LIG    1        6.316   0.742  -0.232  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        5.529   1.819  -0.993  0.00  0.00    +0.040 C 
ATOM     18  C   LIG    1        5.089   1.434  -2.369  0.00  0.00    -0.030 C 
ATOM     19  C   LIG    1        5.222   0.207  -2.884  0.00  0.00    -0.030 C 
ATOM     20  C   LIG    1        5.824  -0.945  -2.146  0.00  0.00    +0.040 C 
ATOM     21  C   LIG    1        5.823   0.735   1.196  0.00  0.00    +0.226 C 
ATOM     22  O   LIG    1        6.137   1.551   2.046  0.00  0.00    -0.275 OA
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  S   LIG    1       -3.161   1.534  -1.248  0.00  0.00    +0.073 S 
ATOM     24  O   LIG    1       -3.535   0.574  -2.263  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.041   2.943  -1.550  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  N   LIG    1       -4.216   1.404   0.025  0.00  0.00    -0.203 N 
ATOM     27  H   LIG    1       -4.588   2.303   0.326  0.00  0.00    +0.175 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.919   0.293   0.498  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -4.536  -1.112   0.095  0.00  0.00    +0.072 C 
ATOM     30  C   LIG    1       -5.595  -1.791  -0.776  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1       -7.010  -1.220  -0.683  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -7.597  -1.130   0.727  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1       -6.688  -0.532   1.800  0.00  0.00    +0.143 C 
ATOM     34  N   LIG    1       -5.895   0.584   1.286  0.00  0.00    -0.272 NA
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   4  23
TORSDOF 6