BQ5IT1 -OEChem-04022116373D 42 44 0 0 0 0 0 0 0999 V2000 -4.4134 -0.2391 -1.0910 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 0.7312 0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4389 -2.6774 1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 1.8137 -0.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0442 0.9369 0.0183 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7528 -1.1975 -0.4042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 -0.4084 0.2493 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5068 0.6303 0.3371 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2959 -0.0498 -0.1843 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0034 -0.5977 -1.6761 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -0.3995 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -0.4154 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 0.5080 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7383 -0.2525 0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 -1.6409 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 -1.5686 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.7050 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 0.6793 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 -0.7590 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 1.5901 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 0.1384 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.9438 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3578 1.4054 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1666 -0.0478 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8342 0.7553 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 0.2386 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2557 1.5002 1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3155 -0.4350 -1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9782 0.6842 1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -1.0674 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -2.4597 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -1.2798 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1006 1.6628 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 -1.6215 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 2.5838 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4156 -1.9431 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9907 2.2710 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8554 0.3486 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8498 2.3775 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3864 1.8460 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8513 0.8546 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9945 -0.8759 -2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 15 2 0 0 0 0 4 17 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 24 1 0 0 0 0 8 25 2 0 0 0 0 9 21 1 0 0 0 0 10 24 2 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 31 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$