B5RSN1 -OEChem-04022107222D 40 41 0 0 0 0 0 0 0999 V2000 7.2587 2.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1184 3.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8316 4.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 3.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7495 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 1.9938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.2893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 0.3382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2495 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5361 2.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 3.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 3.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 2.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8991 1.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 1.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2948 4.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5666 3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1311 3.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2005 1.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 0.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7603 2.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4828 4.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 4.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 1.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 13 1 0 0 0 0 2 34 1 0 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 15 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 36 1 0 0 0 0 9 18 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$