REMARK  Name = BDB051142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.918   0.003   0.709  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.815  -0.729   1.486  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.957  -1.290   0.903  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.216  -1.128  -0.464  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -2.316  -0.384  -1.237  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.177   0.172  -0.653  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.229   0.602   1.147  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.556   0.460   2.529  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.881   1.181   2.816  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1        3.490   1.269   0.971  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1        3.026   0.602   2.100  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        3.453  -0.729   2.507  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1        3.168   2.421   0.686  0.00  0.00    -0.271 OA
BRANCH  10  15
ATOM     14  C   LIG    1        5.251   1.179  -0.742  0.00  0.00    -0.022 C 
ATOM     15  C   LIG    1        4.422   0.517   0.082  0.00  0.00    +0.063 C 
BRANCH  14  17
ATOM     16  C   LIG    1        6.291  -0.933  -1.788  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        6.226   0.588  -1.722  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  15
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -4.461  -1.711  -1.092  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.602  -0.746  -1.141  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -6.038  -0.053  -2.201  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1       -7.118   0.737  -1.962  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1       -7.577   1.326  -2.637  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1       -7.609   0.699  -0.679  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1       -8.567   1.317  -0.248  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1       -6.614  -0.422   0.255  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1       -5.498  -0.079  -3.447  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1       -5.975   0.572  -3.985  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9