B05JNB -OEChem-04012114082D 45 48 0 1 0 0 0 0 0999 V2000 7.3991 -4.0522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 0.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4465 3.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -2.3158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -3.5152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -1.5471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -1.5471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3364 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -3.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 -0.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -3.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -3.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 1.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1728 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 2.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7445 4.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -1.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -2.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -4.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 -0.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 0.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -4.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8499 1.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 1.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1683 2.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5822 1.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2016 1.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7877 1.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 3.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 3.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 3.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 4.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1527 4.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 13 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 6 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$