REMARK  Name = BDB019823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.621  -3.343  -0.383  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.617  -1.999   0.011  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        0.681  -0.939   0.216  0.00  0.00    +0.105 A 
ATOM      4  N   LIG    1        1.290   0.167   0.683  0.00  0.00    -0.169 NA
ATOM      5  N   LIG    1        2.596  -0.157   0.698  0.00  0.00    -0.245 N 
ATOM      6  C   LIG    1        2.846  -1.447   0.325  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1        4.047  -2.052   0.274  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1        3.928  -3.328  -0.130  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        2.802  -3.994  -0.449  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -0.764  -0.944   0.002  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.310  -1.416  -1.199  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -2.694  -1.419  -1.392  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.537  -0.927  -0.396  0.00  0.00    +0.128 A 
ATOM     14  C   LIG    1       -3.006  -0.463   0.808  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -1.622  -0.461   1.000  0.00  0.00    +0.014 A 
BRANCH  13  16
ATOM     16  O   LIG    1       -4.891  -0.988  -0.636  0.00  0.00    -0.456 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -5.635   0.136  -0.355  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1       -6.854  -0.060   0.294  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -7.674   1.032   0.580  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -7.280   2.316   0.204  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.072   2.510  -0.466  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.250   1.419  -0.754  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   3  10
BRANCH   1  23
ATOM     23  N   LIG    1        0.490  -4.085  -0.690  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -0.353  -3.809  -0.202  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        0.700  -5.077  -0.679  0.00  0.00    +0.144 HD
ENDBRANCH   1  23
BRANCH   5  26
ATOM     26  C   LIG    1        3.584   0.809   1.139  0.00  0.00    +0.163 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.489   1.300   0.008  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        5.709   2.069   0.543  0.00  0.00    +0.141 C 
ATOM     29  C   LIG    1        6.473   2.717  -0.615  0.00  0.00    +0.113 C 
ATOM     30  S   LIG    1        5.251   3.592  -1.633  0.00  0.00    -0.090 S 
ATOM     31  S   LIG    1        3.624   2.457  -1.118  0.00  0.00    -0.085 S 
BRANCH  28  32
ATOM     32  O   LIG    1        5.331   3.054   1.512  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1        4.817   3.738   1.036  0.00  0.00    +0.210 HD
ENDBRANCH  28  32
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7