REMARK  Name = BDB012366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.734  -1.087  -0.236  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.515  -1.044   0.445  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.205  -2.133  -0.005  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.629  -2.782  -0.922  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.805  -2.175  -1.065  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.030   0.492  -0.820  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.962  -0.397  -0.929  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.835  -0.168  -0.146  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.753   0.897   0.698  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.795   1.752   0.758  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.952   1.596   0.025  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.182  -0.022  -2.829  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.231   0.261  -1.647  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.376   0.371  -0.942  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.258   0.424   0.025  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.240  -0.070   1.323  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.063  -0.063   1.915  0.00  0.00    +0.270 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.102   0.532   1.003  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -3.370  -0.016   0.890  0.00  0.00    +0.130 A 
ATOM     20  O   LIG    1       -3.800  -1.137   1.558  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -5.046  -1.471   0.904  0.00  0.00    +0.234 C 
ATOM     22  C   LIG    1       -5.606  -0.222   0.225  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.349   0.545   0.081  0.00  0.00    -0.002 A 
ATOM     24  C   LIG    1       -4.100   1.690  -0.654  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -2.830   2.263  -0.566  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -1.844   1.695   0.258  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6