D0IU2K -OEChem-10101305022D 59 60 0 1 0 0 0 0 0999 V2000 2.8660 -0.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 4.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1795 4.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 2.3377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 3.9339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 6.1992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 0.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6808 0.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -2.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1184 2.6467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 3.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4853 4.9120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -4.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 5.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4364 5.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 0.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 1.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 -0.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2016 -1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6577 3.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 1.5169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3223 1.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2764 2.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7382 3.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9461 4.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 6.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 5.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 5.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2339 6.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 22 2 0 0 0 0 4 28 1 0 0 0 0 4 57 1 0 0 0 0 5 30 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 19 7 1 6 0 0 0 7 39 1 0 0 0 0 17 8 1 1 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 22 1 0 0 0 0 25 9 1 1 0 0 0 9 50 1 0 0 0 0 10 30 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 6 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$