REMARK  Name = BDB021228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.489  -3.038  -1.468  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.292  -2.404  -0.553  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.907  -1.140  -0.560  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        0.843  -0.951  -1.426  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.225   0.297  -1.608  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.700   1.350  -1.002  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.770   1.175  -0.148  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        2.398   0.010   0.133  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        0.605  -2.157  -2.042  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.530   0.017   1.102  0.00  0.00    +0.094 A 
ATOM     11  N   LIG    1        4.007   1.232   1.496  0.00  0.00    -0.252 NA
ATOM     12  C   LIG    1        5.036   1.227   2.376  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        5.589   0.060   2.867  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1        5.136  -1.155   2.498  0.00  0.00    -0.260 NA
ATOM     15  C   LIG    1        4.105  -1.149   1.610  0.00  0.00    +0.139 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        1.717  -5.562  -2.012  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        1.629  -4.433  -1.756  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -0.870   0.459  -2.431  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.044   1.460  -2.497  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.135  -0.230  -2.181  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.587  -0.115  -0.753  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.003   1.083  -0.181  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.051   2.454  -0.744  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -3.877   3.144   0.342  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -3.758   2.394   1.571  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -3.390   1.141   1.154  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -3.378   0.033   1.976  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -2.973  -1.180   1.424  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -2.587  -1.245   0.079  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -2.196  -2.429  -0.415  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5