REMARK  Name = BDB021072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.440   3.549   3.208  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.360   2.821   1.965  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.193   3.378   1.142  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.176   1.740   1.759  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.043   1.136   0.521  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.819   1.182  -0.280  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.203  -0.176  -0.339  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.859  -1.320   0.080  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.996  -2.377  -0.041  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.848  -1.974  -0.547  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.211  -1.302   0.607  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.964  -0.623  -0.751  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.911  -0.001   0.227  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -4.973   1.344   2.606  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.126   0.180  -1.274  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        1.426  -0.051  -0.791  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.506   0.720  -1.272  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        3.909   0.808  -1.046  0.00  0.00    +0.103 A 
ATOM     19  N   LIG    1        4.491   1.718  -1.840  0.00  0.00    -0.170 NA
ATOM     20  N   LIG    1        3.471   2.230  -2.547  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1        3.734   3.261  -3.522  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        2.249   1.676  -2.255  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        0.967   1.914  -2.769  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -0.088   1.148  -2.260  0.00  0.00    +0.012 A 
BRANCH  18  25
ATOM     25  C   LIG    1        4.697   0.032  -0.092  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.057  -0.196  -0.117  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        6.333  -0.952   0.981  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.623  -1.452   1.387  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        5.250  -1.225   1.733  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        4.255  -0.615   1.077  0.00  0.00    +0.144 A 
ENDBRANCH  18  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -2.175  -3.883   0.330  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.344  -4.659  -0.213  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -3.228  -4.403   1.265  0.00  0.00    +0.012 C 
ENDBRANCH   9  31
TORSDOF 3