REMARK  Name = BDB013068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.420  -1.158  -0.735  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.624  -1.438  -1.663  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.760  -2.034  -1.171  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.555  -2.260  -2.255  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.989  -1.768  -3.333  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.947  -2.331   0.181  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.973  -2.124   1.026  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.770  -1.246  -2.959  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.183  -1.544   0.540  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        3.396   0.794  -1.227  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1        2.215   0.605  -0.551  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        1.744   1.523   0.519  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        1.659  -0.536  -1.109  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.566  -0.939  -2.124  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        2.470  -2.087  -3.062  0.00  0.00    +0.068 C 
ATOM     16  N   LIG    1        3.633  -0.134  -2.171  0.00  0.00    -0.176 NA
BRANCH  10  17
ATOM     17  C   LIG    1        4.384   1.837  -1.030  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.533   1.361  -0.151  0.00  0.00    +0.182 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.369   2.691  -0.866  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        6.428   2.431   0.169  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -3.136  -2.858   0.638  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.978  -3.154   1.602  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.362  -2.061   0.606  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.331  -0.976   1.651  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -4.014   0.345   1.349  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.746   1.003   0.046  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -3.183   2.332   0.547  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -3.674   2.572   1.884  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.985   1.317   2.342  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.265   1.032   3.662  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -4.572  -0.287   3.991  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.601  -1.281   2.999  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7