BRNU84 -OEChem-04012120122D 63 66 0 1 0 0 0 0 0999 V2000 5.4641 0.5140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 4.8800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.1480 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -4.2907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -3.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.9860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 -3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -3.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -3.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -4.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -4.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -4.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 -2.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.1217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -3.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -3.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 1 28 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 48 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 10 49 1 0 0 0 0 11 21 2 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 M END $$$$