REMARK  Name = BDB021433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.027  -1.645   2.636  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.036  -0.617   1.956  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.122   0.411   2.183  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.230   1.712   1.551  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.631   2.266   1.742  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.474   1.935   0.651  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.650   0.621   0.326  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.587   0.486  -0.718  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.956  -0.761  -1.242  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.357  -1.899  -0.708  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.425  -1.780   0.326  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.051  -0.526   0.860  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.047   0.132   3.030  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.322  -0.316   2.280  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.051  -1.386   1.369  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -2.824  -1.411   0.769  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.022   0.827   1.512  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.221   0.344   0.785  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -4.602   1.323  -0.256  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.902   0.995  -0.959  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -6.846   0.137  -0.368  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -8.053  -0.132  -1.027  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.335   0.469  -2.252  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.412   1.337  -2.832  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.529  -0.540   0.940  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.203   1.601  -2.188  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.367   0.132   1.687  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        4.969  -0.865  -2.360  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.373  -0.999  -1.981  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1        6.722  -2.201  -1.235  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1        8.172  -1.940  -0.850  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        8.321  -0.420  -0.860  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        6.946   0.113  -1.234  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7