REMARK  Name = BDB032932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.834   0.034   0.869  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.914  -0.534  -0.029  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.483  -0.500   0.178  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1       -0.957   0.170   1.323  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.053   0.757   2.219  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.323   0.705   1.980  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.360  -1.180  -0.791  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.397  -0.772  -2.135  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.253  -1.391  -3.049  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.082  -2.430  -2.634  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.051  -2.856  -1.309  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.194  -2.239  -0.395  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -2.402   0.313   1.663  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1       -3.200   0.730   0.624  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1       -2.808   0.904  -0.289  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -2.742   0.093   2.819  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.556   0.843   0.736  0.00  0.00    +0.167 A 
ATOM     18  S   LIG    1       -5.328   1.294  -0.721  0.00  0.00    -0.030 S 
ATOM     19  C   LIG    1       -6.828   1.229   0.087  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1       -6.643   0.873   1.403  0.00  0.00    +0.152 A 
ATOM     21  N   LIG    1       -5.329   0.650   1.774  0.00  0.00    -0.231 NA
BRANCH  19  22
ATOM     22  N   LIG    1       -8.152   1.505  -0.492  0.00  0.00    -0.022 NA
ATOM     23  O   LIG    1       -8.147   1.808  -1.690  0.00  0.00    -0.143 OA
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  24
ATOM     24  N   LIG    1        3.191   0.005   0.532  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        3.420  -0.814  -0.027  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.198   0.298   1.548  0.00  0.00    +0.101 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.604   0.115   0.969  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.355   0.975  -0.628  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.936   1.150  -0.109  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8