D04RUP 01280517572D 1 1.00000 0.00000 0 44 48 0 1 0 999 V2000 3.0500 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 3.6667 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 1.2167 -3.7792 0.0000 N 0 3 0 0 0 0 0 0 0 1.2042 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 4.2375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 2.4292 -3.0792 0.0000 N 0 0 0 0 0 0 0 0 0 5.4625 -1.9625 0.0000 C 0 0 1 0 0 0 0 0 0 4.2375 -2.6750 0.0000 C 0 0 2 0 0 0 0 0 0 4.8500 -1.6125 0.0000 N 0 0 0 0 0 0 0 0 0 1.8167 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 6.0667 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0 3.0500 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 1.8042 -4.1292 0.0000 O 0 5 0 0 0 0 0 0 0 0.5792 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 5.4625 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 3.6167 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 6.6792 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 6.6917 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0750 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 7.3042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 3.8792 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6875 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 4.8042 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 5.4542 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 1.8250 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 4.5917 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 6.6792 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 7.9042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 7.2917 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0.6000 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 1.2167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 7.3125 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 7.9292 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 7.9125 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 8.5292 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 4.8500 -2.3167 0.0000 H 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 11 2 0 0 0 5 9 1 0 0 0 6 8 1 0 0 0 7 1 1 0 0 0 8 10 1 0 0 0 9 2 1 0 0 0 10 5 1 0 0 0 11 7 1 0 0 0 12 6 1 0 0 0 13 1 2 0 0 0 14 3 1 0 0 0 15 3 2 0 0 0 8 16 1 6 0 0 17 5 2 0 0 0 18 12 1 0 0 0 19 6 2 0 0 0 20 22 2 0 0 0 21 16 1 0 0 0 22 21 1 0 0 0 23 24 2 0 0 0 24 26 1 0 0 0 25 2 1 0 0 0 26 21 2 0 0 0 27 18 1 0 0 0 28 4 1 0 0 0 29 9 1 0 0 0 30 12 1 0 0 0 31 11 1 0 0 0 32 25 1 0 0 0 33 20 1 0 0 0 34 23 1 0 0 0 35 27 2 0 0 0 36 27 1 0 0 0 37 38 1 0 0 0 38 31 2 0 0 0 39 33 2 0 0 0 40 34 2 0 0 0 41 36 2 0 0 0 42 35 1 0 0 0 43 41 1 0 0 0 9 44 1 1 0 0 29 32 1 0 0 0 28 37 2 0 0 0 23 20 1 0 0 0 40 39 1 0 0 0 42 43 2 0 0 0 M CHG 2 3 1 14 -1 M END $$$$