REMARK  Name = BDB033749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.323  -0.213  -1.284  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -0.958  -0.203  -2.620  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1        0.388  -0.083  -2.876  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        1.327   0.019  -1.916  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.904   0.016  -0.647  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.392  -0.096  -0.309  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.857   0.548   2.040  0.00  0.00    +0.012 C 
ATOM      8  C   LIG    1       -4.521   0.440   0.541  0.00  0.00    -0.019 C 
ATOM      9  C   LIG    1       -2.982   0.288   0.391  0.00  0.00    +0.113 C 
ATOM     10  N   LIG    1       -2.678  -0.342  -0.903  0.00  0.00    -0.314 N 
ATOM     11  C   LIG    1       -3.141  -1.741  -1.017  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -4.376  -2.003  -0.148  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -5.270  -0.770  -0.078  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -4.994   1.730  -0.155  0.00  0.00    +0.012 C 
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1       -1.884  -0.273  -3.700  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -2.599  -0.348  -4.612  0.00  0.00    -0.191 NA
ENDBRANCH   2  15
BRANCH   5  17
ATOM     17  N   LIG    1        1.782   0.121   0.427  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        1.250   0.101   1.285  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.167   0.280   0.543  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.036   0.383  -0.550  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        5.417   0.533  -0.372  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        5.946   0.569   0.917  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        5.106   0.478   2.025  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.728   0.330   1.832  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  S   LIG    1        7.685   0.790   1.146  0.00  0.00    +0.056 S 
ATOM     26  O   LIG    1        8.242   1.430  -0.022  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        7.932   1.271   2.486  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  N   LIG    1        8.243  -0.793   1.117  0.00  0.00    -0.204 NA
ATOM     29  H   LIG    1        8.867  -0.924   0.321  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        8.664  -1.028   2.015  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 6