D05ROI -OEChem-10101305022D 55 58 0 0 0 0 0 0 0999 V2000 5.9641 3.4604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9216 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -2.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.5094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 1.2222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 1.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 -0.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 5.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 4.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 3.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 5.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 5.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 4.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 4.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6869 5.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 5.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 4.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 3.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9317 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 3.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3791 2.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 -0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1303 -0.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 2 28 1 0 0 0 0 3 21 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 23 1 0 0 0 0 9 46 1 0 0 0 0 10 22 2 0 0 0 0 10 32 1 0 0 0 0 11 31 1 0 0 0 0 11 32 2 0 0 0 0 12 32 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 31 2 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 30 34 2 0 0 0 0 31 50 1 0 0 0 0 33 35 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M END $$$$