D0MR4N -OEChem-10101305022D 42 43 0 0 0 0 0 0 0999 V2000 6.3776 1.2240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.6252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 3.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 4.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 4.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 3.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 4.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 3.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 5.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 4.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4141 4.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9659 4.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2845 5.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 1.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 18 2 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 3 36 1 0 0 0 0 4 9 1 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$