REMARK  Name = BDB061438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.512  -0.480  -1.629  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.031  -0.582  -1.563  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -2.198   0.009  -0.612  0.00  0.00    -0.307 N 
ATOM      4  C   LIG    1       -0.921  -0.453  -0.886  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -1.044  -1.226  -2.030  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        0.106  -1.813  -2.560  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.309  -1.580  -1.889  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.327  -0.787  -0.736  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.216  -0.217  -0.204  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -2.340  -1.288  -2.440  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.574  -0.514   0.008  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.567  -0.399   1.404  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.752  -0.159   2.080  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.930  -0.002   1.458  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        4.941  -0.086   0.119  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        3.806  -0.346  -0.635  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        3.761  -0.035   3.469  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        3.334  -0.839   3.915  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        4.731   0.083   3.749  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        6.178   0.073  -0.504  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        6.146   0.801  -1.209  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        6.847   0.296   0.230  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.580   0.882   0.522  0.00  0.00    +0.040 C 
ATOM     24  C   LIG    1       -3.103   0.006   1.677  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -1.400   1.727   1.075  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -3.658   1.919   0.127  0.00  0.00    +0.034 C 
ENDBRANCH   3  23
TORSDOF 4