REMARK  Name = BDB009100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.584   1.450  -2.010  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.159   1.782  -0.873  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.384   2.465  -0.981  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.835   2.851  -2.250  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.098   2.531  -3.388  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.103   1.832  -3.268  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.481   0.265  -0.877  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        1.808   0.748  -1.981  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.248   0.604  -2.882  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.115   0.338   0.291  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.158  -2.355  -0.479  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        4.000  -1.588  -0.326  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        3.747  -0.475  -1.152  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        4.680  -0.131  -2.138  0.00  0.00    +0.053 A 
ATOM     15 CL   LIG    1        4.514   1.241  -3.175  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        5.831  -0.908  -2.305  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        6.064  -2.015  -1.486  0.00  0.00    +0.016 A 
BRANCH  11  19
ATOM     18  C   LIG    1        5.114  -3.147   2.182  0.00  0.00    +0.090 C 
ATOM     19  S   LIG    1        5.504  -3.785   0.528  0.00  0.00    -0.129 S 
ENDBRANCH  11  19
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.189   2.846   0.243  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.227   1.784   1.338  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.114   0.588   1.180  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.972   0.417  -0.042  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -4.579  -0.984  -0.171  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.094  -1.490   1.170  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.970  -1.536   2.206  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.105  -0.306   2.184  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.223  -0.098   3.360  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -2.167  -0.911   4.278  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -1.488   1.056   3.360  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -0.866   1.213   4.145  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.475   1.995   2.377  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5