REMARK  Name = BDB008586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.009  -1.032  -0.206  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        1.669  -1.993   0.708  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        0.419  -2.492   0.348  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.129  -3.496   1.168  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.612  -3.916   2.272  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.846  -3.332   2.513  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -0.004  -1.793  -0.832  0.00  0.00    -0.001 A 
ATOM      8  N   LIG    1        2.422  -2.366   1.764  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        1.017  -0.905  -1.143  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.316  -1.984  -1.566  0.00  0.00    +0.106 C 
ATOM     11  C   LIG    1       -1.144  -2.059  -3.083  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.277  -0.967  -1.078  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.056  -1.362   0.021  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -3.283  -2.559   0.255  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.559  -0.318   1.049  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.343   0.765   0.554  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.248   1.952   1.352  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -4.041   1.651   2.842  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -2.772   0.950   3.101  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -2.887   0.351   3.918  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.373   0.131   1.935  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.074   0.419  -1.456  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -3.209   1.287  -1.947  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -2.132   0.893  -2.893  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.240  -0.260  -0.185  0.00  0.00    +0.123 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.079   1.046   0.591  0.00  0.00    +0.024 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.392   1.816   0.762  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.108   2.154  -0.543  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        4.829   3.164  -2.652  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        4.200   2.799  -1.431  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9