REMARK  Name = BDB033001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.027  -2.060   1.036  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.782  -2.232   1.688  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.582  -3.387   2.452  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.597  -4.339   2.596  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.832  -4.147   1.987  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.051  -3.010   1.212  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.093  -1.092  -0.920  0.00  0.00    -0.261 N 
ATOM      8  H   LIG    1        3.400  -2.029  -1.141  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        2.269  -0.867   0.160  0.00  0.00    +0.251 C 
ATOM     10  O   LIG    1        1.687   0.178   0.428  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        5.320   0.319  -4.918  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        4.508   0.552  -3.692  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.976   1.737  -3.220  0.00  0.00    +0.187 A 
ATOM     14  S   LIG    1        3.122   1.481  -1.771  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        3.492  -0.176  -1.860  0.00  0.00    +0.167 A 
ATOM     16  N   LIG    1        4.220  -0.547  -2.887  0.00  0.00    -0.227 NA
BRANCH  13  17
ATOM     17  N   LIG    1        4.078   3.050  -3.784  0.00  0.00    +0.065 N 
ATOM     18  O   LIG    1        3.395   3.954  -3.288  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        4.848   3.186  -4.743  0.00  0.00    -0.126 OA
ENDBRANCH  13  17
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  N   LIG    1       -0.212  -1.229   1.562  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1        0.098  -0.380   1.082  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -1.502  -1.222   2.059  0.00  0.00    +0.217 C 
ATOM     23  O   LIG    1       -2.055  -2.137   2.657  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.205   0.094   1.753  0.00  0.00    +0.096 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.615   0.150   2.339  0.00  0.00    +0.009 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.297   1.511   2.164  0.00  0.00    +0.002 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.600   1.853   0.702  0.00  0.00    +0.015 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.299   3.205   0.525  0.00  0.00    +0.077 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.639   3.238   1.096  0.00  0.00    -0.330 NA
ATOM     30  H   LIG    1       -6.591   3.117   2.107  0.00  0.00    +0.118 HD
ATOM     31  H   LIG    1       -7.183   2.450   0.744  0.00  0.00    +0.118 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   2  20
TORSDOF 10