BWQJ28 -OEChem-04042104053D 60 65 0 1 0 0 0 0 0999 V2000 -2.9730 1.4131 1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 1.8536 -1.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9422 -2.7262 -0.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7295 -4.4245 0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 2.8400 -0.5674 N 0 0 2 0 0 0 0 0 0 0 0 0 0.8742 2.2435 -0.2924 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 0.2676 0.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6743 -1.3311 -0.0541 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -2.4323 -0.7721 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8272 -1.5740 0.0379 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2541 -2.5758 -0.7125 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2891 2.9150 0.7463 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0594 1.9945 0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 1.6258 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 2.9726 -1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 1.4525 0.4737 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2745 2.6398 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 3.2182 -1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 0.1764 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 1.6324 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7793 0.1764 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 -1.0080 0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4729 -1.0171 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 0.6435 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9397 -2.1729 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7097 -2.2065 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3554 1.4254 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7875 -1.3056 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 0.0945 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8724 -3.2660 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0532 -1.0521 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 0.7115 1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 -1.5395 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 -0.8493 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 -0.8153 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 3.9480 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.9361 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 2.1632 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1211 0.7440 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 1.6839 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3538 3.7989 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 2.0743 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4055 2.3103 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 2.5723 2.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 3.4556 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 3.1744 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 4.2164 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 -1.0219 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 -0.1723 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 1.1331 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -3.1234 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6558 1.9056 -1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2678 1.2360 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6205 2.1265 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6047 -0.7763 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8050 -1.1388 -2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 -1.5719 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8659 1.6104 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 -2.4352 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 0.0718 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 2 0 0 0 0 3 28 1 0 0 0 0 3 30 1 0 0 0 0 4 30 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 32 1 0 0 0 0 7 34 2 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 35 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 35 60 1 0 0 0 0 M END $$$$