REMARK  Name = BDB003175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.644   0.573   0.071  0.00  0.00    +0.186 A 
ATOM      2  C   LIG    1        0.391   0.355  -0.823  0.00  0.00    +0.292 A 
ATOM      3  O   LIG    1        0.196   1.133  -1.752  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1       -0.394  -0.736  -0.483  0.00  0.00    -0.305 N 
ATOM      5  C   LIG    1       -0.038  -1.522   0.595  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        1.064  -1.258   1.310  0.00  0.00    +0.148 A 
ATOM      7 CL   LIG    1        1.469  -2.279   2.647  0.00  0.00    -0.060 Cl
ATOM      8  N   LIG    1        1.923  -0.222   1.068  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        2.440   1.657  -0.259  0.00  0.00    -0.324 N 
ATOM     10  H   LIG    1        2.174   2.101  -1.137  0.00  0.00    +0.148 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.852   1.729   0.080  0.00  0.00    +0.116 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.741   1.194  -1.048  0.00  0.00    +0.107 C 
BRANCH  12  14
ATOM     13  C   LIG    1        4.545  -1.452  -1.370  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        4.631  -0.263  -1.226  0.00  0.00    -0.104 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -1.605  -1.018  -1.240  0.00  0.00    +0.160 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.849  -0.517  -0.544  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1       -3.160   0.851  -0.548  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.300   1.320   0.105  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.140   0.429   0.771  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.840  -0.932   0.784  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.700  -1.404   0.131  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 6