REMARK  Name = BDB007874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.508   0.359   0.198  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.554   1.410  -0.395  0.00  0.00    +0.027 C 
ATOM      3  C   LIG    1        0.146   0.842  -0.570  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.433   0.483   0.720  0.00  0.00    -0.291 NA
ATOM      5  C   LIG    1        0.497  -0.115   1.680  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.762  -0.687   1.037  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.762  -0.148   0.710  0.00  0.00    +0.145 C 
ATOM      8  C   LIG    1       -2.792   0.691  -0.056  0.00  0.00    +0.233 C 
ATOM      9  O   LIG    1       -3.285   1.758   0.281  0.00  0.00    -0.274 OA
ATOM     10  N   LIG    1       -3.106   0.024  -1.228  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -2.429  -1.236  -1.367  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -1.870  -1.516   0.017  0.00  0.00    +0.047 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.001   0.554  -2.241  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.434   0.238  -1.847  0.00  0.00    +0.127 A 
ATOM     15  N   LIG    1       -5.912   0.914  -0.756  0.00  0.00    -0.309 N 
ATOM     16  H   LIG    1       -5.297   1.528  -0.226  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1       -7.159   0.698  -0.249  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1       -7.567   1.241   0.770  0.00  0.00    -0.268 OA
ATOM     19  C   LIG    1       -7.989  -0.256  -1.019  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -9.386  -0.501  -0.558  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -7.416  -0.839  -2.081  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -6.133  -0.626  -2.513  0.00  0.00    -0.240 NA
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  23
ATOM     23  C   LIG    1        3.600   1.017   1.042  0.00  0.00    +0.166 C 
ATOM     24  O   LIG    1        3.367   1.977   1.776  0.00  0.00    -0.292 OA
BRANCH  23  28
ATOM     25  C   LIG    1        7.653  -0.450   0.994  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        7.356   0.823   1.477  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.032   1.278   1.484  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        4.992   0.471   1.004  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1        5.291  -0.809   0.530  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        6.616  -1.260   0.524  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        9.984  -0.237   1.405  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        8.895  -1.018   0.929  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 6