REMARK  Name = BDB042655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.310   0.004   0.518  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.219  -0.883   0.037  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.048  -1.033   1.050  0.00  0.00    +0.074 C 
ATOM      4  N   LIG    1        0.514   0.246   1.559  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.675   0.756   2.318  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        1.972  -0.457   3.209  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        1.552  -1.657   2.359  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        2.913   1.100   1.439  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.722   0.572  -1.974  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        6.487   1.418  -0.895  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.360   1.227  -0.080  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.424   0.201  -0.312  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.705  -0.644  -1.403  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.828  -0.464  -2.225  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.801   0.915  -3.487  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.871   0.761  -2.809  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        0.010   1.175   0.549  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.283   0.685  -0.117  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.424   0.475   0.885  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.697   0.047   0.199  0.00  0.00    +0.021 A 
ATOM     21  N   LIG    1       -3.759  -1.253  -0.254  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -2.969  -1.873  -0.116  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.843  -1.815  -0.893  0.00  0.00    +0.258 A 
ATOM     24  O   LIG    1       -4.840  -2.979  -1.279  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.013  -0.937  -1.091  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -5.953   0.372  -0.628  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1       -6.973   1.255  -0.762  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -8.088   0.801  -1.380  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -8.234  -0.489  -1.872  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.173  -1.378  -1.724  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -4.751   0.863   0.040  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6