ENTRY       D00413                      Drug
ATOM        19
            1   C1y C    18.8657  -16.2961
            2   N4y N    20.5359  -15.5648
            3   C1x C    18.4295  -17.5962
            4   O2x O    17.7601  -15.4854
            5   C8y C    21.6329  -16.2525
            6   C8x C    20.4803  -14.1952
            7   C1y C    17.0654  -17.5917
            8   C1y C    16.6491  -16.2888
            9   N4x N    22.8245  -15.5863
            10  O5x O    21.6194  -17.6179
            11  C8y C    21.6659  -13.5204
            12  N2b N    16.2659  -18.6975
            13  C1b C    15.3431  -15.8696
            14  C8y C    22.8512  -14.2198
            15  C1a C    21.6815  -12.1564
            16  O1a O    14.3229  -16.7755
            17  O5x O    24.0708  -13.6122
            18  N0  N    15.3644  -19.7657 #+
            19  N2a N    14.3822  -20.9233 #-
BOND        20
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1 #Down
            12    8  13 1 #Up
            13    9  14 1
            14   11  15 1
            15   13  16 1
            16   14  17 2
            17    7   8 1
            18   11  14 1
            19   12  18 2
            20   18  19 2
///