REMARK  Name = BDB012815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.642   5.309   2.043  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        2.267   3.878   1.797  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        0.982   3.624   1.460  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1        0.616   2.341   1.232  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.524   1.289   1.327  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.851   1.554   1.674  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        3.223   2.877   1.914  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.825   2.128   0.857  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -1.597   1.170   1.765  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1       -2.686   0.669   0.934  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.644  -0.167   1.479  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1       -3.535  -0.551   2.645  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.486   1.036  -0.460  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.043   1.519  -0.531  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.759  -0.609   0.678  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -5.529  -1.664   1.095  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -5.406  -2.201   1.948  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -6.526  -1.992   0.258  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -6.442  -1.080  -0.716  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -5.361  -0.189  -0.492  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -7.429  -1.089  -1.848  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -6.738  -1.307  -3.195  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -8.267   0.191  -1.875  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  C   LIG    1        3.830   0.485   1.792  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.768  -0.733   1.146  0.00  0.00    +0.117 A 
ATOM     26  N   LIG    1        4.893  -1.426   1.509  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        5.678  -0.747   2.371  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.035   0.412   2.532  0.00  0.00    +0.142 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.254  -2.778   1.100  0.00  0.00    +0.178 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.646  -2.841  -0.355  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1        4.869  -3.561  -1.274  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        5.238  -3.620  -2.620  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.385  -2.962  -3.059  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.167  -2.245  -2.155  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.801  -2.186  -0.810  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   6  24
TORSDOF 6