D0E7QN -OEChem-10101305032D 42 45 0 1 0 0 0 0 0999 V2000 5.1766 -2.3937 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3948 2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -3.1174 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0348 -1.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 -0.4450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7155 -1.8937 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7155 -2.8937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2453 -2.3937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3402 0.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8397 0.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0834 -0.6142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9665 0.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6766 -1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6821 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1005 1.8956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0615 -0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1766 -2.3937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0669 2.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 -1.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 -3.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -2.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6617 -1.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6617 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 0.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 1.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 -0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 2.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1904 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -0.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 0.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8951 -1.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 1.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6661 2.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9077 2.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0166 -1.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2275 -1.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2275 -3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0166 -3.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 3.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 -0.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 -3.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 16 3 1 6 0 0 0 3 40 1 0 0 0 0 4 22 1 0 0 0 0 5 22 2 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 23 2 0 0 0 0 8 21 1 0 0 0 0 8 24 1 0 0 0 0 9 23 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 6 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 1 0 0 0 12 27 1 0 0 0 0 14 15 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$