B8MPK1 -OEChem-04022102402D 52 54 0 1 0 0 0 0 0999 V2000 3.6942 3.1503 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 3.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0251 2.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 3.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5993 -3.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 2.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 2.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1974 2.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6974 3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 4.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -3.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -3.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -3.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -4.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 2.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 4.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 3.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3164 2.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5728 3.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 1.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 4.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 4.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 3.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 2.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 4.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 5.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 4.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -3.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -4.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -5.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -4.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 5 26 2 0 0 0 0 7 6 1 6 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 6 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 14 18 2 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END $$$$