REMARK  Name = BDB033754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.791  -2.654  -0.237  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -2.184  -1.453   0.072  0.00  0.00    +0.093 A 
ATOM      3  N   LIG    1       -0.864  -1.239  -0.163  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1       -0.129  -2.228  -0.687  0.00  0.00    +0.220 A 
ATOM      5  N   LIG    1       -0.647  -3.422  -1.009  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -1.963  -3.609  -0.780  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.880  -0.289   0.654  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.630  -0.384   1.840  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -4.283   0.733   2.375  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.180   1.959   1.730  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1       -3.433   2.088   0.568  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.784   0.971   0.036  0.00  0.00    +0.013 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -4.798   3.072   2.214  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -5.287   2.833   3.019  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  16
ATOM     15  N   LIG    1       -5.298  -3.179   0.102  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -4.176  -2.926  -0.053  0.00  0.00    +0.103 C 
ENDBRANCH   1  16
BRANCH   4  17
ATOM     17  N   LIG    1        1.227  -2.078  -0.954  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        1.583  -2.940  -1.342  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.161  -1.071  -0.686  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.465  -1.219  -1.192  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        4.443  -0.240  -0.988  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        4.117   0.915  -0.280  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        2.834   1.088   0.236  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        1.865   0.101   0.022  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  S   LIG    1        5.352   2.157  -0.014  0.00  0.00    +0.056 S 
ATOM     26  O   LIG    1        6.653   1.538  -0.105  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        4.954   2.969   1.113  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  N   LIG    1        5.146   3.131  -1.373  0.00  0.00    -0.204 NA
ATOM     29  H   LIG    1        4.517   2.725  -2.066  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        4.833   4.055  -1.070  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 7