REMARK  Name = BDB049647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.348   1.386   0.575  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.218   0.321   0.300  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.543   0.691   0.210  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.696   1.655  -0.047  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.810  -0.827   0.137  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.665  -0.154   0.103  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        3.633  -1.526   0.353  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        4.802  -2.304   0.243  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        6.028  -1.706  -0.114  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1        7.169  -2.409  -0.229  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        7.119  -3.738   0.009  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        5.968  -4.416   0.363  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        6.042  -0.340  -0.350  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.793  -3.685   0.482  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.882   0.436  -0.242  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1       -3.701   0.068   0.386  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1       -2.761  -0.398  -0.627  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -1.636   0.628  -0.790  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -1.112   1.149   0.562  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1       -1.579   0.278   1.731  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -3.103   0.121   1.728  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -5.041  -0.549   0.387  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1       -5.872  -0.006  -0.783  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.106  -2.093   0.500  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.019  -4.395  -0.521  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -4.941  -2.898  -0.793  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1        0.804   2.599   1.265  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.359   3.659   0.338  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        0.778   3.925  -0.910  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        1.306   4.914  -1.742  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.411   5.657  -1.333  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.988   5.415  -0.088  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        2.462   4.426   0.745  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7