REMARK  Name = BDB014858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.459  -1.204   1.489  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -3.272  -0.244   0.972  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -4.743  -0.115   1.100  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -5.139   1.327   0.721  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1       -4.455   1.814  -0.496  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.977   1.780  -0.507  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -5.182   2.620  -1.364  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -6.385   2.843  -1.222  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -4.438   3.222  -2.531  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.466   0.601   0.240  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -1.150   0.085   0.395  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1       -1.165  -1.005   1.169  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  11  13
ATOM     13  N   LIG    1       -0.073   0.677  -0.181  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.235   1.516  -0.721  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.294   0.320  -0.201  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.807  -0.840   0.386  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.177  -1.136   0.342  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.078  -0.273  -0.288  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.577   0.892  -0.876  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.206   1.183  -0.830  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.494  -0.595  -0.332  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.523   0.324  -0.398  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.683  -0.396  -0.402  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        9.027   0.123  -0.454  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.490  -1.725  -0.343  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.160  -1.843  -0.297  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH  11  13
BRANCH   1  27
ATOM     27  C   LIG    1       -2.828  -2.329   2.342  0.00  0.00    +0.170 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.478  -3.752   0.315  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -3.413  -3.525   1.635  0.00  0.00    -0.012 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 5