L1DUA7 -OEChem-05022322543D 60 61 0 1 0 0 0 0 0999 V2000 -0.2675 1.2687 0.3884 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3139 -2.1402 -1.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 -1.7150 1.9309 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2271 -3.6984 2.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9975 0.2862 -2.3396 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6124 -4.3757 0.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 1.1498 -0.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -1.2286 0.1629 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 -2.2430 0.5933 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9552 -1.4125 0.0773 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 -1.3812 0.8842 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0908 -0.0816 1.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -1.1772 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 -1.3732 0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 -1.9650 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 -2.7791 -0.0899 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0194 -1.4107 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6741 -1.2113 -0.6040 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7211 -1.6798 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 2.5574 1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 -3.7116 0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7053 0.1912 -1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3744 -1.8726 -1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 -0.4719 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 3.8625 0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1683 -0.8576 -2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 0.5430 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3093 0.3501 -1.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 4.1411 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 4.7949 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 5.3517 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3373 6.0056 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6649 6.2839 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 -2.1299 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 0.2632 2.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -0.2466 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -0.1552 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0207 -1.8708 -1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -0.6538 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 -2.3729 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 -0.9529 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 -3.4040 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 -1.9405 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 -2.0855 1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 2.2260 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 2.7026 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 -2.8094 -2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3803 -0.3002 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7124 -1.3868 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -2.3439 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6774 -1.0079 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 1.4817 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9283 1.1401 -2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1204 3.4236 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 4.5900 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 5.5684 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 6.7315 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7653 -4.2870 2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 1.1977 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9213 7.2265 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 15 2 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 58 1 0 0 0 0 5 22 1 0 0 0 0 5 59 1 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 41 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 44 1 0 0 0 0 10 18 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 16 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$