REMARK  Name = BDB020812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.456   0.172   1.046  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.496  -0.783   1.241  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        2.696  -0.320   1.725  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.491  -1.424   1.843  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.842  -2.489   1.429  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.949   1.028   2.011  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.996   1.901   1.823  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.581  -2.085   1.050  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.783   1.451   1.341  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  N   LIG    1       -4.720  -2.214  -2.026  0.00  0.00    -0.299 N 
ATOM     11  H   LIG    1       -4.178  -1.815  -2.774  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -4.651  -1.522  -0.842  0.00  0.00    +0.302 C 
ATOM     13  N   LIG    1       -3.415  -0.966  -0.547  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1       -2.238  -1.006  -1.417  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1       -0.934  -1.136  -0.629  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -0.873  -0.168   0.525  0.00  0.00    -0.036 C 
ATOM     17  C   LIG    1       -2.017   0.319   1.040  0.00  0.00    -0.004 C 
ATOM     18  C   LIG    1       -3.398  -0.020   0.561  0.00  0.00    +0.137 C 
ATOM     19  O   LIG    1       -5.622  -1.411  -0.097  0.00  0.00    -0.253 OA
BRANCH  10  21
ATOM     20  C   LIG    1       -6.207  -4.152  -1.694  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -5.957  -2.850  -2.436  0.00  0.00    +0.102 C 
ENDBRANCH  10  21
ENDBRANCH   1  16
BRANCH   6  22
ATOM     22  N   LIG    1        4.196   1.390   2.484  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        4.972   0.784   2.241  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.618   2.785   2.483  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.138   3.243   1.167  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        6.371   2.780   0.805  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        6.644   3.302  -0.419  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        5.600   4.085  -0.854  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        4.623   4.044   0.170  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5