REMARK  Name = BDB058632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.011  -0.979   1.663  0.00  0.00    +0.136 A 
ATOM      2  S   LIG    1        0.160  -0.215   2.650  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        1.323  -0.373   1.389  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.723  -1.004   0.300  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.496  -1.237  -0.851  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        2.841  -0.838  -0.883  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        3.432  -0.213   0.212  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        2.670   0.031   1.367  0.00  0.00    +0.040 A 
ATOM      9  N   LIG    1       -0.608  -1.342   0.470  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        4.776   0.217   0.239  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        5.081   0.658   1.097  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        5.742   0.016  -0.733  0.00  0.00    +0.248 C 
ATOM     13  O   LIG    1        5.624  -0.635  -1.763  0.00  0.00    -0.270 OA
BRANCH  12  14
ATOM     14  C   LIG    1        7.064   0.636  -0.435  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        8.224  -0.044  -0.826  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        9.480   0.506  -0.562  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        9.580   1.739   0.081  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.427   2.430   0.454  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        7.168   1.885   0.194  0.00  0.00    +0.013 A 
ENDBRANCH  12  14
ENDBRANCH   7  10
BRANCH   1  20
ATOM     20  S   LIG    1       -2.644  -1.257   2.223  0.00  0.00    -0.084 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.463  -1.990   0.757  0.00  0.00    +0.161 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.754  -3.244   0.259  0.00  0.00    +0.318 C 
ATOM     23  O   LIG    1       -2.606  -3.582  -0.907  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.360  -4.086   1.240  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -1.923  -4.815   0.752  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  C   LIG    1       -3.698  -0.988  -0.391  0.00  0.00    +0.026 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.474   0.290  -0.042  0.00  0.00    +0.002 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.881   0.018   0.499  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.698   1.299   0.705  0.00  0.00    -0.000 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.976   1.939  -1.763  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -7.658   1.634  -0.440  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 11