REMARK  Name = BDB028864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.027   3.045   1.197  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.662   1.802   0.717  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.809   1.225   0.154  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.760  -0.076  -0.425  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.574  -0.714  -0.414  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.610  -0.027   0.195  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.875   2.076   0.257  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.545   1.166   0.734  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.395   3.147   0.882  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.623   4.300   3.328  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.154   4.046   1.894  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.070   5.361   1.116  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.853  -0.614   0.236  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.527   0.068   0.575  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.366  -1.500  -0.796  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.792  -1.995  -0.497  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.855  -0.893  -0.632  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.249  -1.444  -0.283  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.291  -2.062   1.042  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.229  -2.423   1.217  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.329  -3.160   1.143  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -3.903  -2.679   0.875  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.853  -0.407  -1.975  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.462   0.353  -2.008  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.894  -0.688  -0.979  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        2.675  -1.469  -1.591  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.134  -0.020  -1.346  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.106  -0.970  -1.954  0.00  0.00    +0.055 A 
ATOM     29  N   LIG    1        5.795  -1.929  -1.251  0.00  0.00    -0.336 N 
ATOM     30  C   LIG    1        5.714  -2.187   0.166  0.00  0.00    +0.150 C 
ATOM     31  C   LIG    1        6.579  -2.610  -2.137  0.00  0.00    +0.199 A 
ATOM     32  N   LIG    1        6.440  -2.147  -3.359  0.00  0.00    -0.244 NA
ATOM     33  C   LIG    1        5.532  -1.125  -3.256  0.00  0.00    +0.135 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8