REMARK  Name = BDB012825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.266   0.943  -1.075  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.090   0.271  -0.821  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.805   0.397  -2.090  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.176   0.429  -2.290  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.643   0.880  -3.335  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.092   0.849  -3.140  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.488   0.665  -2.563  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -4.472   0.838   0.943  0.00  0.00    -0.044 A 
ATOM      9  C   LIG    1       -3.421   1.315   0.157  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.390   0.450  -0.204  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.379  -0.853   0.164  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -3.403  -1.313   0.921  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.368  -2.758   1.319  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -4.459  -0.504   1.326  0.00  0.00    +0.026 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -6.727   1.731   0.308  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -5.609   1.742   1.340  0.00  0.00    +0.032 C 
ENDBRANCH   8  16
ENDBRANCH   1  10
BRANCH   4  17
ATOM     17  C   LIG    1        3.030  -0.065  -1.240  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1        2.777  -1.128  -0.419  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1        1.966  -1.736  -0.424  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        3.747  -1.378   0.476  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1        4.702  -0.488   0.175  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        4.306   0.341  -0.899  0.00  0.00    +0.057 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.999  -0.450   0.931  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1        6.787  -1.752   0.774  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        5.786  -0.124   2.410  0.00  0.00    +0.014 C 
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 4