REMARK  Name = BDB021860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.113  -0.013  -0.049  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.872   1.160   0.130  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.229   0.984  -0.030  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.563   0.043   0.116  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.346   2.233   0.415  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.146  -0.057   0.176  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.454  -1.343   0.219  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.017  -1.161   0.719  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.349   0.111   0.160  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.069   0.599  -1.100  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.553   0.857  -0.815  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.596  -0.228  -0.009  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.380   1.078   0.191  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.541   0.043   1.081  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        6.891   0.907   0.011  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -4.224   1.984  -0.064  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -5.563   1.597   0.002  0.00  0.00    +0.134 A 
ATOM     18  N   LIG    1       -6.617   2.449  -0.040  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1       -6.321   3.760  -0.153  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -5.028   4.250  -0.234  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -3.967   3.346  -0.193  0.00  0.00    +0.026 A 
ENDBRANCH   3  16
BRANCH   1  22
ATOM     22  C   LIG    1       -1.595  -1.102  -0.910  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.534  -2.077  -0.230  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -3.471  -2.778  -1.006  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.351  -3.686  -0.415  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.301  -3.912   0.958  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.368  -3.236   1.740  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.486  -2.328   1.150  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7