BT3I4S -OEChem-04012113592D 47 48 0 1 0 0 0 0 0999 V2000 5.4641 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -6.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4400 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 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 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 7.1962 4.9400 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 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 4.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 2 44 1 0 0 0 0 3 17 2 0 0 0 0 6 4 1 6 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 25 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 10 32 1 0 0 0 0 10 33 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 14 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 38 1 0 0 0 0 14 16 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 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 43 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 M END $$$$