REMARK  Name = BDB032050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.332  -2.251   1.629  0.00  0.00    -0.273 N 
ATOM      2  C   LIG    1       -0.108  -1.657   1.284  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        0.888  -2.383   1.892  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        2.162  -1.969   1.683  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        2.419  -0.891   0.910  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.375  -0.232   0.348  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        0.321  -3.429   2.617  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        1.043  -4.401   3.384  0.00  0.00    +0.154 C 
ATOM      9  N   LIG    1        0.088  -0.588   0.513  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1       -1.079  -3.361   2.463  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -1.903  -4.115   2.954  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -4.523  -0.073  -0.217  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -4.393  -0.003   1.248  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -2.993  -0.404   1.708  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -2.643  -1.805   1.201  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -2.840  -1.893  -0.313  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1       -4.246  -1.434  -0.704  0.00  0.00    +0.086 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.984   0.632  -2.122  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -5.860   0.396  -0.621  0.00  0.00    +0.081 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  N   LIG    1        1.558   0.885  -0.462  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        0.648   1.204  -0.761  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.669   1.620  -0.899  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.490   2.723  -1.761  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        1.125   3.151  -2.235  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1        3.608   3.460  -2.205  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        4.903   3.146  -1.829  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        5.089   2.048  -0.973  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.400   1.728  -0.592  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        7.463   2.490  -1.060  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.178   3.551  -1.897  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1        5.929   3.889  -2.286  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        3.981   1.303  -0.522  0.00  0.00    +0.033 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4