REMARK  Name = BDB033705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.063  -0.915  -0.723  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.155  -1.282  -0.299  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.176  -1.222  -1.182  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -2.013  -0.866  -2.500  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.731  -0.509  -2.840  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        0.308  -0.518  -1.979  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.061  -0.978   0.244  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.658  -1.335   1.099  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.222  -0.317   0.362  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        4.550  -0.180  -0.852  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.168  -0.396  -0.906  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        2.444  -0.767   0.233  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.150  -0.907   1.442  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        4.530  -0.692   1.512  0.00  0.00    +0.030 A 
BRANCH   9  15
ATOM     15  S   LIG    1        6.976  -0.047   0.424  0.00  0.00    +0.058 S 
ATOM     16  O   LIG    1        7.538  -0.496  -0.830  0.00  0.00    -0.153 OA
ATOM     17  O   LIG    1        7.464  -0.528   1.698  0.00  0.00    -0.153 OA
BRANCH  15  19
ATOM     18  C   LIG    1        6.465   2.400   1.485  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1        7.083   1.624   0.423  0.00  0.00    -0.193 NA
ATOM     20  H   LIG    1        7.212   2.042  -0.496  0.00  0.00    +0.148 HD
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1       -3.041  -0.884  -3.479  0.00  0.00    +0.106 C 
ATOM     22  N   LIG    1       -3.867  -0.890  -4.294  0.00  0.00    -0.191 NA
ENDBRANCH   4  21
BRANCH   3  23
ATOM     23  O   LIG    1       -3.357  -1.642  -0.642  0.00  0.00    -0.469 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.443  -0.694  -0.621  0.00  0.00    +0.206 C 
ATOM     25  C   LIG    1       -4.161   0.674   0.055  0.00  0.00    +0.100 C 
ATOM     26  C   LIG    1       -5.306   1.673  -0.163  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -4.026   0.288   1.529  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -5.038  -0.841   1.739  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -5.470  -1.311   0.342  0.00  0.00    +0.047 C 
BRANCH  25  30
ATOM     30  O   LIG    1       -2.986   1.305  -0.442  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1       -2.690   1.952   0.223  0.00  0.00    +0.210 HD
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8