REMARK  Name = BDB015850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.036   2.128   0.295  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.124   1.331  -0.294  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.152   1.760  -0.386  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.523   3.025   0.067  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.512   3.761   0.661  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.766   3.345   0.790  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.034  -0.228   0.140  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.735   0.293   0.025  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.413   1.610   0.418  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.456   2.398   0.934  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.755   1.899   1.051  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.042   0.593   0.656  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.017  -4.769  -0.232  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.194  -3.600  -0.422  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.189  -3.637  -1.315  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.653  -2.417  -1.228  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.306  -1.594  -0.279  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.303  -2.404   0.226  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.859   3.596  -0.051  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.356   4.408   0.899  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.580   4.742   0.457  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.407   5.616   1.254  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.893   4.191  -0.747  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.797   3.447  -1.110  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.094   0.900  -0.981  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.932   0.857  -0.406  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.629  -0.425  -1.395  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.480  -1.404  -0.213  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -2.840  -1.683   0.457  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -2.894  -3.088   1.047  0.00  0.00    +0.081 C 
ATOM     31  N   LIG    1       -2.753  -4.119   0.018  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1       -2.465  -4.992   0.461  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -1.823  -3.774  -1.057  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -0.801  -2.712  -0.663  0.00  0.00    +0.020 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6