BI85PY -OEChem-04012113023D 55 58 0 0 0 0 0 0 0999 V2000 1.7897 -2.7364 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 -4.8443 -0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 3.7129 0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0538 2.4368 -0.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 1.2160 2.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 1.2763 -2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 1.8416 0.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -4.1607 -0.0607 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -0.5531 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 -1.9284 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5281 0.2014 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 -2.5646 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -0.4564 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 -1.8611 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 0.0678 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 -2.9536 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4432 -4.0077 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 1.6036 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 0.3186 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 2.3521 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8998 1.7120 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6156 0.3786 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 0.3484 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -5.4514 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 0.9448 1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.9749 -1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4879 1.2580 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 4.3750 -1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 2.7641 1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 0.1967 3.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 0.2715 -2.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 3.2666 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 -2.3814 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 2.1514 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9431 -0.1640 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 0.1619 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 0.1078 2.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 -5.3595 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -6.1644 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6302 -5.8079 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 4.0726 -1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 5.4524 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 4.1580 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9265 3.3677 1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 1.8543 1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 3.3473 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0857 -0.0344 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.7068 3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6451 0.5643 3.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1573 0.0238 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 0.6628 -3.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -0.6270 -3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 3.6546 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 3.6774 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 3.5790 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 4 29 1 0 0 0 0 5 25 1 0 0 0 0 5 30 1 0 0 0 0 6 26 1 0 0 0 0 6 31 1 0 0 0 0 7 27 1 0 0 0 0 7 32 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 33 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 22 26 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$