REMARK  Name = BDB014758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.584  -3.681  -0.538  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.098  -3.722  -0.786  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.417  -2.511  -0.795  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.981  -2.589  -1.131  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.283  -1.327  -0.775  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.902  -0.991  -0.776  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.734   0.281  -0.396  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.968   0.741  -0.120  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.934  -0.185  -0.358  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.398  -0.064  -0.178  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.086  -1.202  -0.962  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.530  -4.801  -0.961  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.055  -1.881  -1.139  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.249  -2.808  -1.406  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.467  -1.795  -1.133  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.177  -0.683  -0.665  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        3.584  -0.629  -0.691  0.00  0.00    -0.043 A 
ATOM     18  C   LIG    1        4.289  -1.724  -1.205  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.604  -2.837  -1.686  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.208  -2.868  -1.653  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.335   0.582  -0.167  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        4.204   0.715   1.365  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1        4.385   2.150   1.870  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        5.328   2.951   0.984  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.810   3.059  -0.452  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        3.926   1.882  -0.875  0.00  0.00    +0.008 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.126   2.104   0.369  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.131   2.163   1.869  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -1.732   3.431   2.580  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -0.834   2.226   2.637  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5