B4DF6I -OEChem-04012120352D 61 64 0 1 0 0 0 0 0999 V2000 7.7331 0.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -0.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 1.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 -0.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 3.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 2.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 2.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 4 11 2 0 0 0 0 8 5 1 6 0 0 0 5 38 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 26 1 0 0 0 0 7 57 1 0 0 0 0 7 58 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 13 39 1 0 0 0 0 14 22 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 25 2 0 0 0 0 17 23 2 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 27 2 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 32 1 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M END $$$$