-ISIS- 05280117082D 34 36 0 0 0 0 0 0 0 0999 V2000 -2.4167 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -1.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.2417 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -0.5708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2667 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -2.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 0.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5250 1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 1.9417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9667 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.3917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3583 0.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 4 9 1 0 0 0 0 9 12 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 1 3 1 0 0 0 0 3 8 2 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 6 11 1 0 0 0 0 9 11 1 0 0 0 0 2 5 1 0 0 0 0 5 10 1 0 0 0 0 10 13 1 0 0 0 0 3 7 1 0 0 0 0 7 10 2 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 18 20 2 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 33 1 1 0 0 0 24 26 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 27 2 0 0 0 0 30 31 2 0 0 0 0 4 34 1 0 0 0 0 M CHG 2 28 -1 32 -1 M END