B1CMG2 -OEChem-04022115403D 60 63 0 0 0 0 0 0 0999 V2000 0.4889 -1.2986 1.3600 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 -2.2436 -1.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -1.5231 2.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7001 -0.2756 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 -1.9244 0.4986 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5105 2.5382 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6502 1.2778 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 3.0150 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 3.7024 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6138 2.2622 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 0.7362 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 0.6781 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -1.0053 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1762 -0.4054 -0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 -0.4635 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -2.2256 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 -1.9648 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -1.5991 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 -1.6171 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 -1.5652 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 -1.2267 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -2.2311 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 0.0975 -1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 -0.5872 -0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9698 -1.9114 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 0.4172 -0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0712 1.0979 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5249 1.2414 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4917 1.1371 -0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9094 1.4785 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8430 1.2699 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2606 1.6112 1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2274 1.5071 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8988 2.2559 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4932 3.2759 1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8131 3.9139 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 3.9054 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1696 3.4936 -1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 4.6241 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2011 2.0238 -2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2442 1.4186 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 3.1353 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 1.1824 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0737 1.0575 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -0.8179 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.9194 2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5152 -2.7362 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4557 -2.9334 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 -1.7823 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 -3.2679 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 0.8902 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6693 -2.6979 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 1.4655 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9149 1.4633 -1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4911 1.7170 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2052 0.9500 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1662 1.5592 2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5959 1.1882 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5602 1.7951 2.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2795 1.6102 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 12 15 2 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$