REMARK  Name = BDB007608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.020  -2.283  -1.450  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.003  -0.906  -1.549  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.587  -0.384  -0.907  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.877  -2.998  -1.884  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.525  -2.795  -0.003  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.429  -2.236  -0.684  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.182  -2.881  -0.738  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        1.022  -4.129  -0.134  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.094  -4.713   0.530  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.326  -4.052   0.592  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.754  -2.131   0.032  0.00  0.00    -0.330 N 
ATOM     12  C   LIG    1        5.966  -2.901   0.304  0.00  0.00    +0.129 C 
BRANCH  11  17
ATOM     13  C   LIG    1        5.872   3.329   1.051  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        5.384   1.989   0.739  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        5.304   1.160   1.952  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        5.378  -0.347   1.677  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        4.760  -0.675   0.315  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1        5.476   0.088  -0.813  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        6.179   1.352  -0.310  0.00  0.00    +0.086 C 
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.180  -0.213  -2.033  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.148   0.113  -0.879  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.462   1.010   0.018  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.423   1.883  -0.407  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.446   0.756  -1.431  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.608   0.752  -0.515  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.788   1.300  -1.218  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.010   1.480  -0.345  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.897   1.539   1.053  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.040   1.740   1.838  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.287   1.909   1.237  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.401   1.870  -0.150  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.559   1.315   1.704  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.270   1.659  -0.938  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.381   1.492   0.733  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8