REMARK  Name = BDB013136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.382   0.107   1.190  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.264   1.157   1.570  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -2.422   0.804   2.219  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -3.035   1.979   2.538  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.347   2.987   2.050  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.780  -0.522   2.477  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.950  -1.482   2.171  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.228   2.468   1.437  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.770  -1.141   1.540  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.374   0.785  -0.736  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        2.959   1.605   0.251  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        1.757   1.360   0.835  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        0.914   0.305   0.502  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.346  -0.519  -0.537  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.575  -0.278  -1.155  0.00  0.00    +0.044 A 
BRANCH  10  21
ATOM     16  O   LIG    1        9.239   2.855  -2.225  0.00  0.00    -0.279 OA
ATOM     17  C   LIG    1        8.741   1.755  -2.030  0.00  0.00    +0.328 C 
ATOM     18  N   LIG    1        7.412   1.507  -1.755  0.00  0.00    -0.301 N 
ATOM     19  C   LIG    1        6.450   2.606  -1.867  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        5.171   2.351  -1.051  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        4.607   1.018  -1.380  0.00  0.00    -0.312 N 
ATOM     22  C   LIG    1        5.578  -0.070  -1.124  0.00  0.00    +0.125 C 
ATOM     23  C   LIG    1        6.867   0.164  -1.934  0.00  0.00    +0.126 C 
ENDBRANCH  10  21
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -3.983  -0.834   3.072  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.948  -1.824   3.314  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.248  -0.578   2.384  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.473  -1.574   1.278  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -5.223  -1.277  -0.059  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.802  -0.010  -0.706  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -4.449  -0.541  -2.094  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -5.168  -1.774  -2.319  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -5.439  -2.224  -1.053  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -5.906  -3.491  -0.775  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1       -6.149  -3.818   0.557  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -5.933  -2.872   1.573  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5