REMARK  Name = BDB016062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.320   1.618   0.307  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.308   0.440   0.134  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.658   0.431   0.044  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.390   1.616   0.082  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.650   2.770   0.268  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.310   2.802   0.391  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.926   0.368   0.420  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.526   0.402   0.319  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.793   1.604   0.418  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.525   2.787   0.628  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.917   2.772   0.734  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.613   1.569   0.631  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.421  -3.050  -0.467  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.194  -2.393  -0.088  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.163  -3.128   0.363  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.215  -2.218   0.605  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.634  -0.897   0.316  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.929  -1.055  -0.136  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.821   1.716  -0.087  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.503   1.349  -1.228  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.816   1.639  -0.992  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.926   1.429  -1.888  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.034   2.182   0.220  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.816   2.241   0.765  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.282  -0.834  -0.096  0.00  0.00    -0.310 N 
ATOM     26  C   LIG    1       -1.556  -2.080   0.008  0.00  0.00    +0.139 C 
ATOM     27  C   LIG    1       -2.895  -2.745   0.365  0.00  0.00    +0.149 C 
ATOM     28  C   LIG    1       -3.320  -1.324   0.778  0.00  0.00    +0.139 C 
BRANCH  27  29
ATOM     29  O   LIG    1       -2.873  -3.752   1.400  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -3.808  -3.952   1.575  0.00  0.00    +0.210 HD
ENDBRANCH  27  29
ENDBRANCH   3  25
TORSDOF 5