REMARK  Name = BDB013076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.195  -0.030  -0.265  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.978  -0.916  -1.054  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -2.291  -1.093  -0.688  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.809  -1.962  -1.601  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.881  -2.312  -2.463  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.879  -0.455   0.413  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.159   0.377   1.119  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.723  -1.651  -2.118  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.841   0.575   0.758  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.953   0.790  -0.929  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        3.498   0.577   0.325  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.179   0.315   0.502  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.230   0.278  -0.514  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.707   0.517  -1.801  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.065   0.780  -2.005  0.00  0.00    +0.044 A 
BRANCH  10  22
ATOM     16  C   LIG    1        7.963  -1.062  -2.888  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1        7.228  -0.390  -1.736  0.00  0.00    +0.133 C 
ATOM     18  O   LIG    1        8.180   0.435  -1.040  0.00  0.00    -0.371 OA
ATOM     19  C   LIG    1        7.573   1.498  -0.277  0.00  0.00    +0.133 C 
ATOM     20  C   LIG    1        8.435   1.724   0.958  0.00  0.00    +0.039 C 
ATOM     21  C   LIG    1        6.106   1.210   0.108  0.00  0.00    +0.137 C 
ATOM     22  N   LIG    1        5.304   1.063  -1.121  0.00  0.00    -0.310 N 
ATOM     23  C   LIG    1        5.999   0.399  -2.242  0.00  0.00    +0.137 C 
ENDBRANCH  10  22
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -4.196  -0.721   0.718  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -4.608  -1.583   0.378  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.787  -0.254   1.958  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.226  -0.698   2.013  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -7.229  -0.043   1.306  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.151   1.120   0.388  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -8.642   1.433   0.263  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -9.401   0.240   0.566  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -8.538  -0.504   1.329  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.909  -1.626   2.039  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1       -7.923  -2.297   2.761  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.595  -1.840   2.747  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5