REMARK  Name = BDB014866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.072   6.118  -1.056  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.864   4.942  -0.943  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.385   3.802  -0.310  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.361   2.709  -0.139  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        0.675   1.434   0.199  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.169   0.105   0.303  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.180  -0.732   0.641  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.918   0.036   0.746  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -0.666   1.347   0.501  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -1.613   2.486   0.496  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -0.804   3.799   0.573  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        2.002   5.011  -1.410  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.470  -0.197   0.068  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        3.074   0.557  -0.234  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.184  -1.415   0.149  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        4.536  -1.428  -0.244  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.307  -2.601  -0.204  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.754  -2.572  -0.599  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.723  -3.780   0.261  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.387  -3.789   0.653  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.627  -2.616   0.593  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -2.189  -0.591   1.057  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.864  -1.117  -0.201  0.00  0.00    +0.078 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.188  -1.746   0.136  0.00  0.00    +0.043 A 
ATOM     25  N   LIG    1       -5.169  -0.909   0.554  0.00  0.00    -0.260 NA
ATOM     26  C   LIG    1       -6.364  -1.461   0.862  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -6.631  -2.817   0.779  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.613  -3.660   0.353  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.372  -3.121   0.025  0.00  0.00    +0.023 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5