REMARK  Name = BDB007695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.692  -2.287   0.511  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.982  -1.925   1.809  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.437  -1.212   2.273  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.413  -3.020  -0.157  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.742  -0.767   0.042  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        2.787  -0.624  -1.296  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        1.726  -1.034  -2.025  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        0.588  -1.583  -1.476  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.535  -1.708  -0.092  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.628  -1.306   0.678  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        3.815  -0.348   0.851  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1        4.087  -1.142   1.425  0.00  0.00    +0.148 HD
BRANCH  11  17
ATOM     13  C   LIG    1        7.976   3.053   0.666  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        6.569   2.699   0.826  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        5.929   2.480  -0.478  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        4.656   1.648  -0.360  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        4.976   0.230   0.145  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        6.194   0.239   1.091  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        6.373   1.594   1.772  0.00  0.00    +0.086 C 
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  C   LIG    1       -2.191  -2.380   2.476  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.382  -1.425   2.304  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.374  -1.742   3.294  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -5.222  -1.462   2.891  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.027  -1.510   0.903  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.320  -0.780   0.843  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.019  -1.071  -0.429  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.472  -0.348  -1.643  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.735   0.843  -1.506  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -4.270   1.509  -2.647  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.555   1.012  -3.918  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.299  -0.157  -4.059  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.387   1.367  -0.136  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.759  -0.831  -2.928  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.189   0.683   0.982  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8