B5RVP2 -OEChem-04012112562D 60 62 0 0 0 0 0 0 0999 V2000 2.8660 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 0.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 3.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 3.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 1.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 2.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1735 -0.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 -0.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 0.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3979 -0.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2474 -0.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 3.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 4.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1735 4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2474 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3979 4.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 60 1 0 0 0 0 3 28 2 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 2 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END $$$$