REMARK  Name = BDB003728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.224  -1.049   1.243  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -3.035  -2.163   1.357  0.00  0.00    -0.285 N 
ATOM      3  C   LIG    1       -2.369  -3.206   0.766  0.00  0.00    +0.158 A 
ATOM      4  C   LIG    1       -3.009  -4.491   0.720  0.00  0.00    +0.157 A 
ATOM      5  N   LIG    1       -4.191  -4.693   1.242  0.00  0.00    -0.258 NA
ATOM      6  C   LIG    1       -4.808  -3.617   1.860  0.00  0.00    +0.129 A 
ATOM      7  N   LIG    1       -1.177  -2.875   0.327  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1       -4.277  -2.383   1.933  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -1.052  -1.544   0.673  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.147  -0.782   0.379  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        0.740   0.043   1.341  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        1.895   0.769   1.035  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.482   0.663  -0.229  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        1.894  -0.163  -1.191  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        0.739  -0.889  -0.885  0.00  0.00    +0.011 A 
BRANCH  13  16
ATOM     16  S   LIG    1        3.948   1.610  -0.592  0.00  0.00    -0.122 S 
BRANCH  16  17
ATOM     17  C   LIG    1        5.165   0.260  -0.890  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        5.503  -0.454   0.418  0.00  0.00    +0.019 C 
BRANCH  17  19
ATOM     19  C   LIG    1        6.418   0.810  -1.598  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        7.271   1.783  -0.792  0.00  0.00    +0.005 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   9  10
BRANCH   1  21
ATOM     21  N   LIG    1       -2.591   0.205   1.662  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1       -1.818   0.872   1.712  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.720   0.864   0.988  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.278   1.464  -0.350  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.996   3.349  -0.432  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -4.421   2.123  -1.125  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8