REMARK  Name = BDB012148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.328   1.101   0.117  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.888   1.171   0.800  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.128   0.632   2.180  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.906   1.850   0.008  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.382   2.306  -1.186  0.00  0.00    +0.058 A 
ATOM      6  S   LIG    1       -0.234   1.856  -1.424  0.00  0.00    -0.100 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.313   2.107   0.335  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.934   1.101   1.033  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.473   0.201   1.091  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.898   3.118  -0.043  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.356   1.105   1.290  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.064   0.358   0.197  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.880  -1.131   0.244  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        5.157  -1.669   1.079  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        6.546  -1.865  -0.703  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.405  -2.867  -0.654  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        7.336  -1.328  -1.688  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.972  -2.281  -2.651  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.493   0.003  -1.742  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.848   0.880  -0.773  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        7.134   2.343  -0.977  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -1.668   0.481   0.520  0.00  0.00    +0.026 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.901   2.651   1.102  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -2.368   1.318   1.615  0.00  0.00    +0.005 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -1.490  -0.995   0.952  0.00  0.00    +0.010 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.436  -1.993   0.262  0.00  0.00    +0.016 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.911  -1.927   0.692  0.00  0.00    +0.084 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.629  -0.726   0.246  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1       -5.907  -0.566   0.975  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1       -7.032  -1.535   0.537  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       -7.309  -1.552  -0.912  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1       -8.050  -0.360  -1.327  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -6.042  -1.681  -1.659  0.00  0.00    +0.099 C 
ATOM     34  C   LIG    1       -4.912  -0.723  -1.206  0.00  0.00    +0.100 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9