B2HD7Q -OEChem-04022116533D 40 42 0 0 0 0 0 0 0999 V2000 -4.9651 -3.5481 0.8109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 3.0028 0.0699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0077 0.2345 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 -0.5619 -0.1148 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1655 0.9425 -0.0791 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 3.2961 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -1.3783 -0.1914 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 1.7499 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 0.4724 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.9584 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -1.0803 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -0.2673 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 3.8953 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -1.0090 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 3.3554 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 -2.7267 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8075 -0.9093 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -1.0442 1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 -3.6820 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -0.8436 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -0.9784 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8486 -0.8782 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -1.5940 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.6928 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 1.0257 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2447 4.9647 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 4.4435 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 2.9124 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5186 3.0033 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4319 -1.1746 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3944 -2.9537 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -2.8735 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3119 -0.8796 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 -1.1201 2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -4.7195 -0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7646 -3.4643 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 -0.7649 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 -1.0046 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9325 -0.8267 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4167 -3.7639 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 40 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 9 2 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 10 1 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$