B4ESV1 -OEChem-04012119312D 58 62 0 0 0 0 0 0 0999 V2000 8.6804 -4.8950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4527 -6.0797 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2680 -6.8520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 -3.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 5.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 4.2907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2531 -1.8652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 6.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 1.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9674 1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5673 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8994 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9244 1.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2066 -4.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 -2.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4957 -5.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 -5.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8279 -6.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8494 -6.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -5.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 5.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 7.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 7.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 6.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 5.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 5.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5749 1.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 1.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0036 -0.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1739 -0.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 -1.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3859 0.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3385 1.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 1.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6464 -1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 -3.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -5.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0205 -7.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4353 -6.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 30 2 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 42 1 0 0 0 0 6 15 1 0 0 0 0 6 18 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 25 1 0 0 0 0 10 30 1 0 0 0 0 10 53 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 31 36 1 0 0 0 0 32 55 1 0 0 0 0 33 35 1 0 0 0 0 33 56 1 0 0 0 0 34 35 2 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 M END $$$$