B2Q5JC -OEChem-04012116382D 45 46 0 0 0 0 0 0 0999 V2000 4.5981 -5.5932 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 3.8907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.4456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 4.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 5.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 6.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9826 0.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 1.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 2.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 1.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1636 2.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 3.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7096 3.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3447 4.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 5.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -7.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 7.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 3 32 1 0 0 0 0 4 11 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 18 1 0 0 0 0 7 19 2 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 22 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 19 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 3 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$