REMARK  Name = BDB034831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   0.254   1.888  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1       -0.373   0.083   3.196  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.522  -0.879   3.184  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1        0.754  -1.333   1.915  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1       -0.062  -0.627   1.076  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.714  -2.367   1.546  0.00  0.00    +0.106 C 
ATOM      7  C   LIG    1        2.701  -1.893   0.457  0.00  0.00    +0.133 C 
ATOM      8  N   LIG    1        2.292  -2.269  -0.900  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        2.394  -1.451  -2.026  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        2.101  -1.818  -3.159  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.904  -3.657  -1.133  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        1.778  -4.474   0.148  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1        1.008  -3.690   1.202  0.00  0.00    +0.028 C 
BRANCH   9  14
ATOM     14  C   LIG    1        2.881  -0.072  -1.849  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        1.959   0.975  -1.786  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.417   2.279  -1.603  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.788   2.530  -1.498  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.705   1.480  -1.582  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.255   0.172  -1.760  0.00  0.00    +0.013 A 
ENDBRANCH   9  14
ENDBRANCH   4   6
BRANCH   1  21
ATOM     20  C   LIG    1       -2.046   1.571   0.312  0.00  0.00    +0.223 C 
ATOM     21  N   LIG    1       -1.654   1.216   1.584  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1       -1.980   1.717   2.399  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1       -1.591   1.111  -0.732  0.00  0.00    -0.275 OA
BRANCH  20  26
ATOM     24  N   LIG    1       -5.451   3.060   0.361  0.00  0.00    -0.269 N 
ATOM     25  C   LIG    1       -4.405   2.184   0.947  0.00  0.00    +0.129 C 
ATOM     26  C   LIG    1       -3.105   2.657   0.308  0.00  0.00    +0.095 C 
ATOM     27  C   LIG    1       -3.563   3.062  -1.087  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -4.899   3.744  -0.833  0.00  0.00    +0.117 C 
BRANCH  24  30
ATOM     29  N   LIG    1       -7.802   3.221   1.178  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -6.714   3.147   0.789  0.00  0.00    +0.169 C 
ENDBRANCH  24  30
ENDBRANCH  20  26
ENDBRANCH   1  21
TORSDOF 5