REMARK  Name = BDB062342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.814  -0.444  -0.423  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.526  -0.347  -0.324  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.208  -1.039  -1.239  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.601  -1.127  -1.380  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.896  -1.970  -2.474  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.654  -2.390  -2.994  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.456  -3.263  -4.113  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.999  -2.278  -2.893  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.645  -1.812  -2.227  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.709  -1.864  -2.264  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.451  -1.182  -1.365  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.578  -0.465  -0.537  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -3.554  -0.974   0.915  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -3.931   0.113   1.925  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -5.015   0.934   1.391  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -5.603   1.793   2.415  0.00  0.00    +0.104 C 
ATOM     17  C   LIG    1       -4.596   1.718   0.220  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -3.479   1.061  -0.600  0.00  0.00    +0.040 C 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     19  N   LIG    1        1.512   0.280   0.541  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        0.839   0.752   1.126  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        2.217   1.870   2.872  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        3.240   1.282   1.935  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        2.867   0.519   0.807  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.897   0.008   0.006  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.256   0.246   0.294  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.620   1.013   1.413  0.00  0.00    +0.071 A 
ATOM     27  N   LIG    1        6.902   1.269   1.730  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        7.865   0.761   0.929  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.610  -0.004  -0.192  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.284  -0.264  -0.513  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        4.603   1.514   2.210  0.00  0.00    +0.033 A 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3