B2TX7O -OEChem-04042103513D 42 45 0 0 0 0 0 0 0999 V2000 2.3954 -2.6849 0.0234 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 2.4391 1.4605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4939 2.7961 -0.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 -1.9215 1.9522 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7588 0.1713 2.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -0.1399 -0.1648 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 -0.6933 1.7127 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6237 0.1201 -0.4712 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2793 -0.3032 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 -0.0734 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 0.7189 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 -0.8026 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 0.4691 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -1.5749 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -1.8245 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8697 -1.0611 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.2646 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 0.3482 -1.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 -0.7529 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9406 -0.0345 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 2.0620 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 0.5784 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 0.0041 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4382 0.3869 -0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 -2.1270 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2817 1.3052 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4428 -0.5380 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4777 2.0145 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 1.3824 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6213 1.2721 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4356 -2.3821 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0805 -2.8274 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 0.5031 -2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 -0.1789 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 0.9069 -2.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5022 0.5662 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 -2.8268 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 1.7844 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5059 -1.5402 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5223 3.0295 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 3.3426 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5680 1.8923 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 2 41 1 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 16 2 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 8 27 1 0 0 0 0 8 29 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 17 20 2 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 25 2 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 36 1 0 0 0 0 25 37 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 28 29 1 0 0 0 0 28 40 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$