REMARK  Name = BDB021738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.380   0.018  -0.949  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.268  -0.505   0.000  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.579  -0.574  -0.422  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.702  -0.746  -1.406  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.895  -0.888   1.105  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.582  -0.510   0.802  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        3.024   0.854   0.668  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.500   0.861   0.530  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.075   0.009  -0.666  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.649  -1.401  -0.519  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.169  -1.348  -0.336  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.059  -0.466   1.027  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.334  -0.007   2.471  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.779  -1.821   0.770  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.079  -0.844   0.222  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        7.291  -1.858   1.037  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.719  -0.814   0.378  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -4.920  -1.129  -0.284  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -6.131  -1.363   0.400  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -6.069  -1.287   1.800  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -4.887  -0.961   2.474  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.716  -0.716   1.764  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  N   LIG    1       -7.309  -1.694  -0.286  0.00  0.00    -0.336 N 
ATOM     24  C   LIG    1       -7.480  -1.172  -1.642  0.00  0.00    +0.129 C 
ATOM     25  C   LIG    1       -8.545  -1.884   0.471  0.00  0.00    +0.129 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  26
ATOM     26  C   LIG    1       -0.804   0.843  -2.089  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.691   2.327  -1.825  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -1.505   2.946  -0.865  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.398   4.316  -0.623  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.481   5.083  -1.338  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.332   4.481  -2.296  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.228   3.110  -2.541  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8