REMARK  Name = BDB014776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.364  -3.963   0.546  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.877  -3.733   0.632  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.415  -2.441   0.412  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.965  -2.241   0.600  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.526  -0.949   0.011  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.229  -0.397  -0.169  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.312   0.812  -0.736  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.628   1.032  -0.923  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.395   0.002  -0.479  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.868  -0.139  -0.516  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.282  -1.243   0.480  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.119  -4.671   0.880  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.891  -1.064   0.206  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.771  -1.996   0.584  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.259  -0.712   0.148  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.212  -1.646   0.584  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.584  -1.360   0.554  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        5.045  -0.125   0.089  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        4.101   0.810  -0.348  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.730   0.517  -0.318  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        6.469   0.163   0.058  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        7.033   1.419   0.145  0.00  0.00    +0.113 A 
ATOM     23  N   LIG    1        8.385   1.240   0.093  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        9.113   1.946   0.133  0.00  0.00    +0.188 HD
ATOM     25  N   LIG    1        8.752  -0.046  -0.018  0.00  0.00    -0.182 NA
ATOM     26  C   LIG    1        7.587  -0.700  -0.039  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.058   2.268  -1.563  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.113   3.411  -0.593  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.396   3.791   0.105  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -2.833   4.683  -0.967  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5