L87EIT -OEChem-05032300402D 48 50 0 1 0 0 0 0 0999 V2000 7.3164 2.6514 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6794 4.3450 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 -0.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 0.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0175 -1.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6238 1.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 2.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 5.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 5.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4214 3.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -2.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -4.1717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2112 -0.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2095 -1.3044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2607 0.0063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2579 -1.6118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9534 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7632 -0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1115 -1.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 0.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 -1.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 1.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4054 0.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5872 0.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5843 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 -3.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6282 4.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 3.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 2.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -5.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1593 5.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3475 4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 27 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 27 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 19 4 1 1 0 0 0 4 36 1 0 0 0 0 20 5 1 1 0 0 0 5 37 1 0 0 0 0 6 23 1 0 0 0 0 7 41 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 22 12 1 6 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 25 2 0 0 0 0 13 26 1 0 0 0 0 14 24 2 0 0 0 0 14 29 1 0 0 0 0 15 28 1 0 0 0 0 15 29 2 0 0 0 0 16 28 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 44 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 6 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 26 1 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$