B5GDL2 -OEChem-04022105073D 54 58 0 0 0 0 0 0 0999 V2000 -5.2864 -1.5612 -0.2932 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1607 2.6940 0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7756 2.6267 0.7015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3908 -3.1201 -1.7712 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8147 -3.5545 0.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 0.6046 -0.3012 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 1.3736 -1.1799 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0063 0.8482 0.2802 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9381 0.9704 0.9565 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 -2.7584 -0.5905 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0247 1.6878 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3253 0.2088 -0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 2.5256 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -0.2700 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 2.0450 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 2.1551 -1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9842 0.1092 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.7102 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9368 -1.3064 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1338 0.0506 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 0.8105 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 1.2984 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9823 -2.2399 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4234 0.4857 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -0.5341 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 0.4674 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 -1.3875 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 -0.8965 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2487 -1.7828 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4686 -0.4382 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -1.7334 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -1.2180 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 0.1291 1.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 1.8081 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -0.4180 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 0.0495 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 2.4687 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0803 3.5808 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -0.2748 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 -1.3087 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3519 2.6222 -0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 2.2512 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0555 2.0572 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 3.2104 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 0.5813 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 -3.2912 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6065 1.5339 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 -0.9473 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0717 -2.4889 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4604 -0.1011 1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6893 -2.7939 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6892 2.7949 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8147 -1.8504 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9093 0.5880 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 18 2 0 0 0 0 3 22 1 0 0 0 0 3 52 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 45 1 0 0 0 0 8 17 2 0 0 0 0 8 20 1 0 0 0 0 9 26 1 0 0 0 0 9 33 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 23 29 1 0 0 0 0 23 46 1 0 0 0 0 24 30 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 2 4 -1 10 1 M END $$$$