REMARK  Name = BDB013050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.809  -0.148   0.010  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.208   1.137  -0.080  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.863   1.186  -0.357  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.551   2.513  -0.413  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.619   3.234  -0.159  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.069   0.045  -0.534  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.627  -1.133  -0.444  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.668   2.366   0.049  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.978  -1.200  -0.167  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.915  -0.855   0.816  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        6.323  -1.554  -0.164  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        5.012  -1.300  -0.400  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.237  -0.386   0.312  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.890   0.324   1.322  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.240   0.084   1.581  0.00  0.00    +0.044 A 
BRANCH  10  16
ATOM     16  N   LIG    1        8.256  -1.137   1.060  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        8.821  -0.297   1.031  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        8.547  -1.811   0.355  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1       -1.274   0.195  -0.796  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.729   1.076  -0.591  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.171  -0.943  -0.838  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.573  -0.453  -1.088  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1       -4.441  -0.129  -0.050  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.238  -0.162   1.419  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.684   0.030   1.875  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.429   0.674   0.818  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.705   0.384  -0.310  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.162   0.601  -1.593  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.311   0.280  -2.650  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.029  -0.238  -2.401  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5