REMARK  Name = BDB017632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.079  -1.111   0.057  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.841  -0.955  -1.107  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.142  -0.444  -1.034  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.726  -0.097   0.194  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        5.115   0.422   0.200  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.744   0.687   1.415  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.412   0.101   2.175  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        7.180   0.936   1.473  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.591   1.809   0.294  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        7.152   1.175  -1.031  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.754   0.618  -0.971  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        5.117   0.268  -2.269  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.696   0.428  -3.340  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.950  -0.243   1.353  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.860  -0.261  -2.219  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        3.447  -0.492  -3.112  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.648  -0.752   1.286  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.324  -1.682  -0.011  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1       -4.060   0.256   0.198  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1       -2.942   0.476  -0.740  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1       -1.595   0.422   0.016  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.319  -0.867   0.700  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.569  -1.641   0.884  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.797  -0.770   1.232  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1       -6.481   0.973   1.658  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -6.491   0.418   0.262  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -5.307   0.100  -0.428  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -5.341  -0.360  -1.701  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -6.542  -0.539  -2.292  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -7.749  -0.281  -1.676  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.720   0.204  -0.378  0.00  0.00    +0.008 A 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3