REMARK  Name = BDB017418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.228   0.546   0.152  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        1.109   0.530   1.210  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        0.709   0.516   2.147  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.570   0.700  -1.015  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.472   0.177  -0.031  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -3.772   0.066   1.273  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1       -2.760   0.104   2.152  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -1.467   0.248   1.855  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.209   0.370   0.533  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -2.172   0.348  -0.452  0.00  0.00    +0.076 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.487   0.190  -0.998  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -4.239  -0.405  -1.783  0.00  0.00    +0.148 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -9.858  -1.435  -0.418  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -8.486  -0.944  -0.331  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -7.511  -2.000  -0.588  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -6.105  -1.526  -0.208  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -5.863  -0.040  -0.531  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -6.825   0.427  -1.625  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -8.283   0.222  -1.203  0.00  0.00    +0.086 C 
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  C   LIG    1        2.518   0.829   1.048  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.295   0.576   2.343  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.624   1.257   3.425  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.570   2.200   3.191  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.769   1.054   2.308  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.737   0.442   1.394  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.785   1.064   0.065  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.769   0.407  -0.881  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.274  -0.880  -0.627  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.164  -1.472  -1.534  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.530  -0.801  -2.701  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.017   0.466  -2.966  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.910  -1.593   0.650  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.139   1.067  -2.063  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.650  -1.017   1.308  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8