D0PH5Z -OEChem-04152108512D 59 62 0 1 0 0 0 0 0999 V2000 6.3301 0.8123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 1.2831 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 3.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3123 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 4.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 1.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -1.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -3.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8669 -3.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 0.5996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3123 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3214 -0.8176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -0.2262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0971 -0.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 1.3081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0595 -2.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1287 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -3.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 0.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 0.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 0.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5723 1.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8978 -2.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6581 -2.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2904 -1.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5302 -1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 -2.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5798 0.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1929 -0.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3773 -4.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 33 1 0 0 0 0 2 37 1 0 0 0 0 3 18 2 0 0 0 0 4 23 1 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 36 1 0 0 0 0 8 59 1 0 0 0 0 9 36 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 17 11 1 1 0 0 0 11 24 1 0 0 0 0 11 42 1 0 0 0 0 12 22 1 0 0 0 0 12 26 2 0 0 0 0 12 27 1 0 0 0 0 13 25 2 0 0 0 0 14 28 1 0 0 0 0 14 37 2 0 0 0 0 15 37 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 6 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 30 2 0 0 0 0 27 46 1 0 0 0 0 28 33 2 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 M CHG 2 4 -1 12 1 M END $$$$