B52JPQ -OEChem-04022102213D 37 37 0 1 0 0 0 0 0999 V2000 4.7864 0.6739 -0.0790 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 0.2991 -0.6653 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 1.1148 -1.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 1.6957 1.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0217 -0.0821 0.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -0.5031 -0.3376 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8921 -1.2901 1.4862 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0647 -0.9071 0.3458 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5997 -0.8628 0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 -0.5149 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 -0.1323 -1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0373 -0.1192 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 -1.2776 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6071 1.0517 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 -1.2650 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 1.0643 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7154 -0.0941 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 1.1489 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.6243 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 -0.1279 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.8449 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -1.5105 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 0.1925 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8614 -1.1562 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 -0.8320 -1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 0.8562 -1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8572 -1.4149 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5896 -2.1967 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 -2.1964 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 1.9594 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 -2.1706 -0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 2.0070 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 1.0244 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1744 1.9854 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 0.9771 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5203 1.9348 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0333 1.4524 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 M END $$$$