REMARK  Name = BDB014713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.980  -0.987   2.135  0.00  0.00    +0.122 C 
ATOM      2  N   LIG    1       -1.345  -1.856   3.041  0.00  0.00    -0.285 NA
ATOM      3  H   LIG    1       -0.545  -1.970   3.676  0.00  0.00    +0.188 HD
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1       -3.237  -0.978   1.012  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1       -4.173  -0.452  -0.061  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -3.698   0.860  -0.674  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1       -2.292   0.795  -1.037  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1       -1.872   1.489  -2.168  0.00  0.00    +0.213 C 
ATOM      9  O   LIG    1       -2.651   2.060  -2.930  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1       -0.388   1.511  -2.447  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -1.368   0.404   0.022  0.00  0.00    +0.147 C 
ATOM     12  C   LIG    1       -1.954  -0.538   1.047  0.00  0.00    +0.026 C 
BRANCH   4  14
ATOM     13  C   LIG    1       -5.137  -2.202   2.185  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1       -3.755  -1.913   1.895  0.00  0.00    -0.350 N 
ATOM     15  H   LIG    1       -3.082  -2.152   2.642  0.00  0.00    +0.145 HD
ENDBRANCH   4  14
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  N   LIG    1        0.300  -0.486   2.243  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        0.386   0.506   2.037  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.322  -1.038   1.444  0.00  0.00    +0.125 A 
ATOM     19  N   LIG    1        2.087  -0.142   0.787  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1        3.075  -0.609  -0.019  0.00  0.00    +0.076 A 
ATOM     21  C   LIG    1        3.329  -1.965  -0.179  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        2.537  -2.877   0.511  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        1.518  -2.409   1.333  0.00  0.00    +0.044 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.848   0.397  -0.729  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        3.661   1.762  -0.613  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        4.573   2.350  -1.437  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        4.766   3.763  -1.654  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.348   1.467  -2.092  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.906   0.283  -1.659  0.00  0.00    +0.144 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5