L8DUL3 -OEChem-05032300362D 63 66 0 1 0 0 0 0 0999 V2000 9.2992 0.8486 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0405 2.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8425 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -1.9237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2846 1.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7467 2.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6983 2.5122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 0.6706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3701 1.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7094 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2120 0.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0221 1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9349 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7449 1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6955 0.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2846 1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7861 2.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7861 2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2876 3.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0588 1.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 2.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -0.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -0.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 1.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1416 -0.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -0.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8644 -0.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6573 0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3696 1.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 1.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5873 0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3801 0.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8860 0.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1759 1.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8669 1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8949 3.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2039 2.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6774 1.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3684 2.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8240 3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5986 3.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7512 3.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 12 2 1 6 0 0 0 2 42 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 48 1 0 0 0 0 5 18 1 0 0 0 0 5 26 2 0 0 0 0 6 24 2 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 24 1 0 0 0 0 8 57 1 0 0 0 0 8 58 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 1 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 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 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 25 27 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 M END $$$$