REMARK  Name = BDB046815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.531  -2.234   2.507  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -1.399  -3.076   1.712  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.090  -2.736   3.715  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.759  -1.590   1.474  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        0.678  -1.736   0.088  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.700  -1.229  -0.716  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.811  -0.586  -0.147  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1        2.877  -0.458   1.251  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.859  -0.963   2.062  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.907  -0.040  -1.047  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        3.900   1.503  -1.075  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        5.254   2.111  -1.453  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        6.056   1.198  -2.369  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        6.352  -0.152  -1.713  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        5.298  -0.581  -0.687  0.00  0.00    +0.008 C 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1       -1.371  -0.837   2.965  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -1.667  -0.904   3.938  0.00  0.00    +0.174 HD
BRANCH  16  23
ATOM     18  C   LIG    1       -4.523   2.036  -1.961  0.00  0.00    +0.138 C 
ATOM     19  N   LIG    1       -5.005   1.247  -0.838  0.00  0.00    -0.274 N 
ATOM     20  C   LIG    1       -4.079   0.754   0.129  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.507  -0.208   1.060  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1       -3.609  -0.731   2.004  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -2.292  -0.283   2.035  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -1.854   0.663   1.114  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -5.903  -0.751   0.973  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -6.851   0.339   0.526  0.00  0.00    +0.101 C 
ATOM     27  C   LIG    1       -2.743   1.177   0.165  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1       -6.374   0.991  -0.751  0.00  0.00    +0.220 C 
ATOM     29  O   LIG    1       -7.190   1.345  -1.603  0.00  0.00    -0.275 OA
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 4