REMARK  Name = BDB032930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.451  -0.308  -0.340  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.457  -0.713   0.567  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -0.782  -0.054   0.683  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.964   1.133  -0.053  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        0.023   1.565  -0.951  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        1.218   0.852  -1.083  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.215   1.930   0.108  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1       -2.032   3.294   0.107  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1       -1.105   3.692   0.102  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1       -3.269   1.325   0.269  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.074   4.171   0.236  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1       -2.591   5.809   0.309  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1       -4.231   6.257   0.447  0.00  0.00    +0.166 A 
ATOM     14  C   LIG    1       -5.032   5.138   0.425  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1       -4.359   3.935   0.298  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1       -4.761   7.623   0.572  0.00  0.00    -0.022 NA
ATOM     17  O   LIG    1       -3.910   8.519   0.562  0.00  0.00    -0.143 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  N   LIG    1        2.666  -1.001  -0.350  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        2.546  -1.965  -0.041  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.567  -0.877  -1.492  0.00  0.00    +0.101 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.762  -1.813  -1.298  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.359  -2.068  -3.765  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.834  -1.662  -2.379  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   3  24
ATOM     24  N   LIG    1       -1.748  -0.492   1.635  0.00  0.00    -0.314 N 
ATOM     25  H   LIG    1       -2.658  -0.056   1.417  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.001  -1.824   2.047  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -1.900  -2.915   1.175  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.239  -4.202   1.603  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.707  -4.407   2.899  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.849  -3.323   3.764  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -2.510  -2.038   3.333  0.00  0.00    +0.023 A 
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 9