REMARK  Name = BDB042835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743   0.688   0.412  0.00  0.00    +0.136 A 
ATOM      2  N   LIG    1       -0.323   1.917   0.754  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1        0.950   2.253   0.458  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.794   1.358  -0.170  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.292   0.106  -0.464  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.024  -0.234  -0.193  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -6.653  -0.776  -0.011  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -5.410  -0.026  -0.417  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1       -4.189  -0.669  -0.259  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -4.005  -2.025   0.288  0.00  0.00    +0.073 C 
ATOM     11  C   LIG    1       -4.141  -3.087  -0.804  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.636  -2.170   0.989  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1       -2.244  -0.881   1.713  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -2.171   0.322   0.746  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -2.959   0.072  -0.548  0.00  0.00    +0.119 C 
ATOM     16  O   LIG    1       -5.503   1.125  -0.845  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        1.355   3.619   0.840  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        0.410   4.634   1.016  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        0.690   5.919   1.360  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        1.987   6.224   1.552  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.013   5.307   1.417  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.690   3.996   1.060  0.00  0.00    +0.013 A 
ENDBRANCH   3  17
BRANCH   5  23
ATOM     23  N   LIG    1        2.063  -0.865  -1.118  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.470  -1.678  -1.270  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.410  -1.231  -0.922  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        4.043  -1.990  -1.910  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.374  -2.363  -1.743  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        6.070  -3.167  -2.800  0.00  0.00    +0.065 C 
ATOM     29  N   LIG    1        6.090  -2.027  -0.647  0.00  0.00    -0.260 NA
ATOM     30  C   LIG    1        5.462  -1.304   0.303  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        4.144  -0.888   0.212  0.00  0.00    +0.043 A 
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 4